| 1 | M | 41.2 | Very low | 43.7 | Very low | 248 Ų | 248 | 157.7 Ų | 157.7 | 100% | 1.222 | 86% | 0.858 | S | S | * | * | | | | 0 | 150 | 0 | -74.9 | 155.8 | 65.5 | 0 | 0 | 108.5 | | |
| 2 | R | 42.9 | Very low | 43.8 | Very low | 230 Ų | 230 | 155.1 Ų | 155.1 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | | | trans | -85.7 | 152 | -177 | -64.4 | 176 | 176.2 | 169.1 | -3.2 | 111.6 | | |
| 3 | S | 44.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | | | trans | -150.8 | 111.7 | 143.8 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 4 | N | 43.7 | Very low | 43.7 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 75% | 0.754 | 84% | 0.838 | S | S | * | * | | | trans | -83.9 | 127.7 | 178.3 | -58.3 | -21.9 | 0 | 0 | 0 | 109.3 | A6 | N4-A6 PolarHBondContact O-N 3.38Š|
| 5 | C | 47.6 | Very low | 43.8 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | | | trans | -86.9 | 87.5 | 167.8 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 6 | A | 44.4 | Very low | 44 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 84% | 0.839 | S | S | * | * | | | trans | -72.7 | 133 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | N4 S8 | N4-A6 PolarHBondContact O-N 3.38Å; A6-S8 PolarHBondContact O-N 3.48Å |
| 7 | W | 43.4 | Very low | 44.3 | Very low | 251 Ų | 251 | 147.3 Ų | 147.3 | 95% | 0.951 | 84% | 0.837 | S | S | * | * | | | trans | -83.1 | 111 | 172.9 | -80.7 | 35.1 | 0 | 0 | 0 | 109.9 | M9 | W7-M9 PolarHBondContact O-N 3.35Š|
| 8 | S | 47.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | | | trans | -74.1 | 121.6 | 173.2 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | A6 S10 | A6-S8 PolarHBondContact O-N 3.48Å; S8-S10 PolarHBondContact O-N 3.34Å |
| 9 | M | 35.9 | Very low | 44.8 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | | | trans | -71.8 | 108.9 | 166.4 | -73.9 | 176.3 | 57.4 | 0 | 0 | 109.7 | W7 T11 | W7-M9 PolarHBondContact O-N 3.35Å; M9-T11 PolarHBondContact O-N 2.96Å |
| 10 | S | 40.2 | Very low | 44.9 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | | | trans | -81.6 | 111 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | S8 V12 | S8-S10 PolarHBondContact O-N 3.34Å; S10-V12 PolarHBondContact O-N 3.44Å |
| 11 | T | 49 | Very low | 45.2 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | | | trans | -73.4 | 105.4 | 170.6 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | M9 G13 | M9-T11 PolarHBondContact O-N 2.96Å; T11-G13 PolarHBondContact O-N 2.87Å; T11-G13 VanDerWaalsContact O-N 3.14Å |
| 12 | V | 45.9 | Very low | 45.3 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | | | trans | -70.6 | 108.1 | 171.7 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | S10 L14 | S10-V12 PolarHBondContact O-N 3.44Å; V12-L14 PolarHBondContact O-N 3.45Å |
| 13 | G | 39.4 | Very low | 45.9 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | trans | -70.8 | 124 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T11 T15 | T11-G13 PolarHBondContact O-N 2.87Å; T11-G13 VanDerWaalsContact O-N 3.14Å; G13-T15 PolarHBondContact O-N 3.39Å |
| 14 | L | 45.8 | Very low | 46.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -81.4 | 101.8 | 168 | -68.9 | 174.4 | 0 | 0 | 0 | 109.1 | V12 A16 | V12-L14 PolarHBondContact O-N 3.45Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.15Å |
| 15 | T | 45.5 | Very low | 46.5 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -72.3 | 86.8 | 167.7 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | G13 Q17 | G13-T15 PolarHBondContact O-N 3.39Å; T15-Q17 PolarHBondContact O-N 3.44Å |
| 16 | A | 47.5 | Very low | 46.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 114.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L14 | L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.15Å |
| 17 | Q | 48.8 | Very low | 46.7 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | -92 | 120.5 | 179.5 | -159 | 165.6 | 6.7 | 0 | 0 | 109.5 | T15 | T15-Q17 PolarHBondContact O-N 3.44Š|
| 18 | E | 49.6 | Very low | 47 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | 40.4 | 95.2 | 162.8 | -60.4 | -173.3 | 128.4 | 0 | 0 | 118.5 | | |
| 19 | I | 48.1 | Very low | 47.2 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -114.8 | 104.8 | 150.5 | -55.6 | 176.9 | 0 | 0 | 0 | 107.4 | L21 | I19-L21 PolarHBondContact O-N 3.31Š|
| 20 | S | 48.1 | Very low | 47.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -70.6 | 105.4 | 175.1 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 21 | L | 50.6 | Low | 48 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -76.4 | 134.6 | 170.1 | -62.9 | 176.7 | 0 | 0 | 0 | 109.6 | I19 T23 | I19-L21 PolarHBondContact O-N 3.31Å; L21-T23 PolarHBondContact O-N 3.17Å |
| 22 | P | 42.8 | Very low | 48 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -72.3 | 102.8 | 174.8 | 28.7 | -32.7 | 0 | 0 | 0 | 110.3 | E24 | P22-E24 VanDerWaalsContact C-N 3.3Å; P22-E24 PolarHBondContact O-N 2.75Å; P22-E24 VanDerWaalsContact O-N 3.09Å |
| 23 | T | 54.8 | Low | 47.9 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -79.4 | 74.2 | 169.6 | 47.9 | 0 | 0 | 0 | 0 | 111 | L21 | L21-T23 PolarHBondContact O-N 3.17Š|
| 24 | E | 51.4 | Low | 48.3 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -151.8 | 154.6 | 154.8 | -132.9 | 176.2 | 167.8 | 0 | 0 | 112.5 | P22 P26 | P22-E24 VanDerWaalsContact C-N 3.3Å; P22-E24 PolarHBondContact O-N 2.75Å; P22-E24 VanDerWaalsContact O-N 3.09Å; E24-P26 WeakPolarHBondContact O-CD 3.48Å |
| 25 | N | 50.9 | Low | 48.4 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | | | trans | -103.5 | 111.3 | -156.9 | -179.7 | 7.1 | 0 | 0 | 0 | 112.3 | F27 | N25-F27 VanDerWaalsContact OD1-CD2 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; N25-F27 PolarHBondContact OD1-N 3.27Å |
| 26 | P | 49.5 | Very low | 48.6 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -101.4 | 38.8 | -176.7 | 40 | -34.5 | 0 | 0 | 0 | 113.7 | E24 L28 | E24-P26 WeakPolarHBondContact O-CD 3.48Å; P26-L28 PolarHBondContact O-N 3.44Å |
| 27 | F | 46.9 | Very low | 48.8 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -76 | 59.7 | 167.4 | -80 | -65.1 | 0 | 0 | 0 | 112.5 | N25 R29 | N25-F27 VanDerWaalsContact OD1-CD2 3.29Å; N25-F27 WeakPolarHBondContact OD1-CD2 3.37Å; N25-F27 PolarHBondContact OD1-N 3.27Å; F27-R29 PolarHBondContact O-N 2.88Å |
| 28 | L | 49.5 | Very low | 49.1 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -86.1 | 90.4 | 166.4 | -75.7 | 177.8 | 0 | 0 | 0 | 110.9 | P26 G30 | P26-L28 PolarHBondContact O-N 3.44Å; L28-G30 PolarHBondContact O-N 3Å |
| 29 | R | 52 | Low | 48.9 | Very low | 251 Ų | 251 | 138 Ų | 138 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | | | trans | -12.7 | 114.8 | 149.6 | -173 | -174 | -142.5 | -119.5 | 5.6 | 114.8 | F27 | F27-R29 PolarHBondContact O-N 2.88Š|
| 30 | G | 49.9 | Very low | 48.8 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 146 | 61.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | L28 | L28-G30 PolarHBondContact O-N 3Š|
| 31 | S | 41.7 | Very low | 48.7 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -140.3 | 129.6 | 150.8 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | C33 | S31-C33 PolarHBondContact O-N 3.11Å; S31-C33 VanDerWaalsContact O-N 3.15Å |
| 32 | Y | 49.6 | Very low | 48.5 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -77.4 | 94.9 | -175.6 | 173.5 | -109.6 | 0 | 0 | 0 | 109.9 | H34 | Y32-H34 AromaticContact CE1-CE1 3.21Å; Y32-H34 WeakPolarHBondContact CE1-CE1 3.38Å; Y32-H34 AromaticContact CE1-ND1 3.34Å; Y32-H34 VanDerWaalsContact CE1-ND1 3.34Å; Y32-H34 WeakPolarHBondContact CE1-ND1 3.46Å; Y32-H34 AromaticContact CE1-NE2 3.85Å; Y32-H34 AromaticContact CZ-CE1 3.52Å; Y32-H34 AromaticContact CZ-ND1 3.65Å; Y32-H34 PolarHBondContact O-N 3.23Å; Y32-H34 PolarHBondContact OH-CE1 2.9Å; Y32-H34 VanDerWaalsContact OH-CE1 3.22Å |
| 33 | C | 43 | Very low | 48.5 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | | | trans | -73.6 | 104.8 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 110.4 | S31 S35 | S31-C33 PolarHBondContact O-N 3.11Å; S31-C33 VanDerWaalsContact O-N 3.15Å; C33-S35 PolarHBondContact O-N 2.83Å |
| 34 | H | 48.1 | Very low | 47.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -64.8 | 119 | 163.9 | -94.7 | -17.8 | 0 | 0 | 0 | 110.2 | Y32 M36 | Y32-H34 AromaticContact CE1-CE1 3.21Å; Y32-H34 WeakPolarHBondContact CE1-CE1 3.38Å; Y32-H34 AromaticContact CE1-ND1 3.34Å; Y32-H34 VanDerWaalsContact CE1-ND1 3.34Å; Y32-H34 WeakPolarHBondContact CE1-ND1 3.46Å; Y32-H34 AromaticContact CE1-NE2 3.85Å; Y32-H34 AromaticContact CZ-CE1 3.52Å; Y32-H34 AromaticContact CZ-ND1 3.65Å; Y32-H34 PolarHBondContact O-N 3.23Å; Y32-H34 PolarHBondContact OH-CE1 2.9Å; Y32-H34 VanDerWaalsContact OH-CE1 3.22Å; H34-M36 PolarHBondContact O-N 3.12Å |
| 35 | S | 48.5 | Very low | 46.9 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -60.8 | 105.8 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | C33 A37 | C33-S35 PolarHBondContact O-N 2.83Å; S35-A37 PolarHBondContact O-N 3.11Å; S35-A37 VanDerWaalsContact O-N 3.1Å |
| 36 | M | 49.2 | Very low | 46.1 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -81.1 | 36.1 | 166.4 | -72.1 | -115.8 | -65 | 0 | 0 | 112.6 | H34 G38 | H34-M36 PolarHBondContact O-N 3.12Å; M36-G38 PolarHBondContact O-N 3.44Å |
| 37 | A | 52.7 | Low | 45.6 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 65.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S35 | S35-A37 PolarHBondContact O-N 3.11Å; S35-A37 VanDerWaalsContact O-N 3.1Å |
| 38 | G | 53.5 | Low | 45.1 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.8 | -0.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | M36 K40 | M36-G38 PolarHBondContact O-N 3.44Å; G38-K40 PolarHBondContact O-N 2.81Å |
| 39 | S | 45.5 | Very low | 44.8 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -74.2 | 90.1 | 177 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 40 | K | 47.4 | Very low | 44.2 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -55.9 | 136.4 | 166.7 | -63.9 | 178.7 | -179.5 | 178.7 | 0 | 109.6 | G38 S42 | G38-K40 PolarHBondContact O-N 2.81Å; K40-S42 PolarHBondContact O-N 3.19Å |
| 41 | S | 45.5 | Very low | 43.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -70.5 | 86.1 | 177.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | C43 | S41-C43 VanDerWaalsContact C-N 3.25Å; S41-C43 PolarHBondContact O-N 3.43Å |
| 42 | S | 46.7 | Very low | 43.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -80.4 | 65.8 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 112 | K40 S44 | K40-S42 PolarHBondContact O-N 3.19Å; S42-S44 PolarHBondContact O-N 3.26Å |
| 43 | C | 41.3 | Very low | 43.4 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -88.2 | 82.3 | 157.4 | -72.8 | 0 | 0 | 0 | 0 | 108.4 | S41 C45 | S41-C43 VanDerWaalsContact C-N 3.25Å; S41-C43 PolarHBondContact O-N 3.43Å; C43-C45 PolarHBondContact O-N 3.01Å |
| 44 | S | 34.9 | Very low | 43.1 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -73.1 | 75.4 | 175.4 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | S42 H46 | S42-S44 PolarHBondContact O-N 3.26Å; S44-H46 PolarHBondContact O-N 3.12Å; S44-H46 VanDerWaalsContact O-N 3.14Å |
| 45 | C | 38.1 | Very low | 42.5 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | | | trans | -68.9 | 103.3 | 159.5 | -66.2 | 0 | 0 | 0 | 0 | 107.3 | C43 Q47 | C43-C45 PolarHBondContact O-N 3.01Å; C45-Q47 PolarHBondContact O-N 3.5Å |
| 46 | H | 33.7 | Very low | 42.1 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -67.4 | 97.3 | 176.1 | -147.5 | -82.6 | 0 | 0 | 0 | 108.3 | S44 | S44-H46 PolarHBondContact O-N 3.12Å; S44-H46 VanDerWaalsContact O-N 3.14Å |
| 47 | Q | 39.4 | Very low | 41.2 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | | | trans | -109.4 | 94 | 178.7 | -171 | 170.7 | 20.4 | 0 | 0 | 107.9 | C45 P49 | C45-Q47 PolarHBondContact O-N 3.5Å; Q47-P49 WeakPolarHBondContact O-CD 3.42Å |
| 48 | E | 36.7 | Very low | 40.5 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | | | trans | -71.1 | 121 | 166.7 | -69.7 | -175.4 | 144.3 | 0 | 0 | 108.8 | I50 | E48-I50 PolarHBondContact O-N 3.15Š|
| 49 | P | 43.6 | Very low | 39.8 | Very low | 99 Ų | 99 | 143.4 Ų | 143.4 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | | | trans | -83.5 | 112 | 167.1 | 4.5 | 14.8 | 0 | 0 | 0 | 107.8 | Q47 H51 | Q47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-H51 PolarHBondContact O-N 3.29Å |
| 50 | I | 40.3 | Very low | 39.5 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 76.4 | 165.2 | -54.8 | 177.8 | 0 | 0 | 0 | 107.8 | E48 N52 | E48-I50 PolarHBondContact O-N 3.15Å; I50-N52 PolarHBondContact O-N 2.98Å |
| 51 | H | 41.8 | Very low | 38.8 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -85.7 | 93.4 | 159.7 | -84.6 | -68.6 | 0 | 0 | 0 | 108.1 | P49 | P49-H51 PolarHBondContact O-N 3.29Š|
| 52 | N | 39.4 | Very low | 38.5 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | -165.7 | 147.4 | 151.2 | -94.9 | -35.5 | 0 | 0 | 0 | 110 | I50 | I50-N52 PolarHBondContact O-N 2.98Š|
| 53 | Y | 41.4 | Very low | 37.9 | Very low | 220 Ų | 220 | 145.5 Ų | 145.5 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 65.3 | 83 | -174.3 | -64.2 | -84.5 | 0 | 0 | 0 | 116.5 | | |
| 54 | L | 37.7 | Very low | 37.5 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | | -165.4 | 52 | 126.2 | -101.6 | 169.7 | 0 | 0 | 0 | 111 | M56 | L54-M56 PolarHBondContact O-N 2.86Š|
| 55 | M | 35 | Very low | 37.3 | Very low | 148 Ų | 148 | 157.5 Ų | 157.5 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | trans | -89.6 | 88.5 | 157.3 | -101.3 | -73.9 | -71.1 | 0 | 0 | 107 | E57 | M55-E57 HydrophobicContact CE-CB 4.22Å; M55-E57 HydrophobicContact CE-CG 4.29Å; M55-E57 WeakPolarHBondContact CE-OE2 3.39Å |
| 56 | M | 39.4 | Very low | 37.1 | Very low | 170 Ų | 170 | 157 Ų | 157 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | | | trans | -107.8 | 102.8 | 158.9 | -77.4 | -62.9 | -89.9 | 0 | 0 | 106.9 | L54 S58 | L54-M56 PolarHBondContact O-N 2.86Å; M56-S58 PolarHBondContact O-N 2.83Å |
| 57 | E | 32.2 | Very low | 37.2 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 58% | 0.575 | 79% | 0.788 | S | S | * | * | | | trans | -79.7 | 108.6 | -169.2 | -165.8 | 166 | 177.3 | 0 | 0 | 109.5 | M55 H59 | M55-E57 HydrophobicContact CE-CB 4.22Å; M55-E57 HydrophobicContact CE-CG 4.29Å; M55-E57 WeakPolarHBondContact CE-OE2 3.39Å; E57-H59 VanDerWaalsContact CD-NE2 3.27Å; E57-H59 VanDerWaalsContact CG-NE2 3.34Å; E57-H59 WeakPolarHBondContact CG-NE2 3.34Å; E57-H59 PolarHBondContact O-N 3.32Å; E57-H59 IonicContact OE1-CD2 3.41Å; E57-H59 IonicContact OE1-CE1 3.53Å; E57-H59 IonicContact OE1-NE2 2.71Å; E57-H59 PolarHBondContact OE1-NE2 3.25Å |
| 58 | S | 37 | Very low | 36.9 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -82 | 64 | -173.9 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | M56 I60 | M56-S58 PolarHBondContact O-N 2.83Å; S58-I60 PolarHBondContact O-N 3.48Å |
| 59 | H | 38.9 | Very low | 36.7 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 68% | 0.676 | 80% | 0.8 | S | S | * | * | | | trans | -84.3 | 93.8 | 167.4 | -65.9 | -36.1 | 0 | 0 | 0 | 110.1 | E57 | E57-H59 VanDerWaalsContact CD-NE2 3.27Å; E57-H59 VanDerWaalsContact CG-NE2 3.34Å; E57-H59 WeakPolarHBondContact CG-NE2 3.34Å; E57-H59 PolarHBondContact O-N 3.32Å; E57-H59 IonicContact OE1-CD2 3.41Å; E57-H59 IonicContact OE1-CE1 3.53Å; E57-H59 IonicContact OE1-NE2 2.71Å; E57-H59 PolarHBondContact OE1-NE2 3.25Å |
| 60 | I | 39.2 | Very low | 36 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | | | trans | -120.8 | 86.7 | 158.8 | -58.5 | -176.8 | 0 | 0 | 0 | 107.2 | S58 | S58-I60 PolarHBondContact O-N 3.48Š|
| 61 | E | 33.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 157.5 Ų | 157.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -80.4 | 142.3 | 170.6 | -171.5 | 165.4 | -167.8 | 0 | 0 | 110.6 | S63 | E61-S63 PolarHBondContact O-N 3.23Š|
| 62 | S | 38.4 | Very low | 37.1 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -62.2 | 116 | -172.8 | -55 | 0 | 0 | 0 | 0 | 113.6 | | |
| 63 | S | 33.8 | Very low | 36.9 | Very low | 98 Ų | 98 | 156 Ų | 156 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -150.8 | 92.3 | 163.5 | -168.6 | 0 | 0 | 0 | 0 | 113.7 | E61 | E61-S63 PolarHBondContact O-N 3.23Š|
| 64 | Y | 32.4 | Very low | 36.2 | Very low | 240 Ų | 240 | 151.1 Ų | 151.1 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | | | trans | -128.6 | 81.5 | 156.8 | -74 | -74 | 0 | 0 | 0 | 109.7 | A66 | Y64-A66 PolarHBondContact O-N 3.44Å; Y64-A66 VanDerWaalsContact O-N 3.12Å |
| 65 | R | 31 | Very low | 36 | Very low | 231 Ų | 231 | 150.7 Ų | 150.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -75.8 | 89.4 | 167.2 | -179.8 | -169.1 | -85.6 | -157.3 | -5.1 | 109.2 | | |
| 66 | A | 34.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -84.6 | 120.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y64 | Y64-A66 PolarHBondContact O-N 3.44Å; Y64-A66 VanDerWaalsContact O-N 3.12Å |
| 67 | Q | 34.8 | Very low | 35.4 | Very low | 170 Ų | 170 | 154 Ų | 154 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -73.3 | 133.2 | 173.2 | -62.5 | -173.2 | 8 | 0 | 0 | 110.3 | | |
| 68 | Q | 34 | Very low | 35.9 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -136 | 150.1 | 144.4 | -74.1 | -157.5 | 1.5 | 0 | 0 | 110.9 | | |
| 69 | K | 32.2 | Very low | 35.8 | Very low | 202 Ų | 202 | 156.3 Ų | 156.3 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | | | trans | -124.5 | 116.1 | -159.2 | -179.9 | -177.9 | 178.7 | -175 | 0 | 108.1 | | |
| 70 | A | 30 | Very low | 35.5 | Very low | 86 Ų | 86 | 160.1 Ų | 160.1 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -75 | 178.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 71 | P | 49 | Very low | 35.2 | Very low | 118 Ų | 118 | 157 Ų | 157 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | cis | -136.9 | -147.5 | 7.2 | 45.7 | -25.2 | 0 | 0 | 0 | 111.2 | | |
| 72 | P | 55 | Low | 35.8 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | cis | -137.5 | 166.6 | -12.2 | 38.2 | -18.5 | 0 | 0 | 0 | 118.6 | | |
| 73 | Q | 34.8 | Very low | 35.5 | Very low | 173 Ų | 173 | 156 Ų | 156 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | 44.2 | 130.8 | 140.7 | -67 | 176.4 | -45.7 | 0 | 0 | 124.6 | | |
| 74 | S | 27.1 | Very low | 35.5 | Very low | 116 Ų | 116 | 156.3 Ų | 156.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | | -163.1 | 160 | 123.3 | -167.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 75 | H | 33.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 172.5 | -172.7 | -56.1 | -96.3 | 0 | 0 | 0 | 112.6 | | |
| 76 | E | 28.4 | Very low | 35.7 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | cis | -151.4 | 177.7 | 36.6 | -69.4 | -167.6 | 104.5 | 0 | 0 | 115.9 | | |
| 77 | K | 34.1 | Very low | 35.5 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -95.3 | 172.8 | 165.3 | -90.9 | 173.9 | 178.9 | 170.6 | 0 | 109 | | |
| 78 | P | 43.4 | Very low | 35.4 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | cis | -154.9 | 171.1 | 37.1 | 42 | -19.2 | 0 | 0 | 0 | 120.8 | | |
| 79 | K | 34.5 | Very low | 35.6 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | 36.7 | 130.7 | 140.6 | -60.1 | 170.9 | -177.9 | 179.3 | 0 | 119.5 | | |
| 80 | Y | 31.6 | Very low | 35.6 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | | | | -159.5 | 165.4 | 77.6 | -101.4 | -82.9 | 0 | 0 | 0 | 114.1 | | |
| 81 | S | 32.8 | Very low | 36 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -141.4 | -169.3 | 176.4 | -150.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 82 | P | 47.5 | Very low | 35.3 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | | | cis | -145.6 | -159.4 | 2.4 | 32.4 | -5.2 | 0 | 0 | 0 | 115.7 | | |
| 83 | K | 30.8 | Very low | 34.6 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | trans | 82.3 | 145.7 | 164.5 | -52.8 | 175 | -176.3 | -180 | 0 | 114.9 | | |
| 84 | S | 33 | Very low | 35 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | cis | -168.4 | 162.3 | -7.8 | -107.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 85 | Q | 36.6 | Very low | 35.2 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | cis | -156.7 | 175.6 | -3.2 | -177.4 | 168.4 | -61.1 | 0 | 0 | 108.5 | | |
| 86 | S | 32.8 | Very low | 35.3 | Very low | 85 Ų | 85 | 152.3 Ų | 152.3 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | | | trans | -91.2 | 166.9 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 87 | F | 30.5 | Very low | 35.7 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | 151.8 | 146.8 | 138.9 | -74.6 | -52.5 | 0 | 0 | 0 | 108.1 | | |
| 88 | A | 32.4 | Very low | 35.6 | Very low | 81 Ų | 81 | 147 Ų | 147 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | cis | -178.4 | 143.2 | -20.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 89 | Q | 37 | Very low | 35.1 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | 8.5 | 131 | 159.5 | -57.8 | 176.9 | -17.9 | 0 | 0 | 120.1 | | |
| 90 | K | 33.3 | Very low | 34.8 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | | -159 | 153.8 | 129.2 | -106.1 | 145.9 | -169.7 | 178.6 | 0 | 113.2 | | |
| 91 | K | 38.3 | Very low | 34.8 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | -92.2 | 140.1 | -176.3 | -53.4 | 164.5 | -175.6 | 176 | 0 | 108.3 | | |
| 92 | C | 33 | Very low | 34.6 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | | | trans | -120 | 94.9 | 176.4 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 93 | L | 41.1 | Very low | 33.9 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -151.9 | 107.6 | 159.8 | -121.5 | 167.9 | 0 | 0 | 0 | 105.5 | | |
| 94 | P | 42.5 | Very low | 34 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | | -148.5 | 176.1 | 127.8 | 38.8 | -22.6 | 0 | 0 | 0 | 111 | | |
| 95 | S | 32.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | cis | -163.3 | 162.2 | -18.6 | 41.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 96 | H | 35.2 | Very low | 34.4 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -48.8 | 142.7 | 173 | -59.5 | -100.2 | 0 | 0 | 0 | 114 | | |
| 97 | L | 36.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 147 Ų | 147 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -94.4 | 144 | 163.7 | -67.9 | 172.2 | 0 | 0 | 0 | 109.6 | | |
| 98 | S | 31.5 | Very low | 35.3 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -138.8 | 127.9 | 177.3 | -72.7 | 0 | 0 | 0 | 0 | 113 | | |
| 99 | L | 33.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | 63.9 | 125.4 | 140.6 | -63.8 | 169.3 | 0 | 0 | 0 | 122.7 | | |
| 100 | S | 29.1 | Very low | 36.2 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | | 166.3 | 155.7 | 125.7 | 49 | 0 | 0 | 0 | 0 | 107.8 | | |
| 101 | H | 30.5 | Very low | 36.2 | Very low | 182 Ų | 182 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | cis | -133.3 | -176.4 | 5.9 | -89.9 | -100.5 | 0 | 0 | 0 | 108.7 | | |
| 102 | A | 28.8 | Very low | 36.1 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | cis | 177.1 | 135.2 | -45.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 103 | M | 34 | Very low | 36.2 | Very low | 198 Ų | 198 | 133.7 Ų | 133.7 | 98% | 0.975 | 79% | 0.791 | S | S | * | * | | | trans | -153 | 123.3 | 159.4 | -120.5 | 175.7 | 106.2 | 0 | 0 | 111.2 | | |
| 104 | E | 32.2 | Very low | 36.1 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | -107.4 | -177.8 | 169.1 | -119.6 | -160.8 | 111.6 | 0 | 0 | 108 | | |
| 105 | P | 46.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | | | cis | -132.3 | 171 | -8.5 | 36.3 | -19.4 | 0 | 0 | 0 | 114.6 | | |
| 106 | S | 30.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -172.9 | 119.1 | 142.2 | -81.9 | 0 | 0 | 0 | 0 | 112 | | |
| 107 | S | 35.8 | Very low | 36.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -131.9 | 163 | 162.4 | 75.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 108 | P | 48.1 | Very low | 36.6 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -139.2 | 141.3 | 57 | 28.6 | -5.6 | 0 | 0 | 0 | 115.4 | | |
| 109 | S | 34.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | | 87.9 | 174 | 92.5 | -140.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 110 | P | 52 | Low | 36.7 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | | -134.2 | 175 | -95.6 | 43 | -26.7 | 0 | 0 | 0 | 115.7 | | |
| 111 | A | 34.8 | Very low | 37 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 149.4 | 160 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 112 | D | 35.6 | Very low | 37.1 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | cis | -160.7 | 176.7 | -43.5 | -149.2 | -25.5 | 0 | 0 | 0 | 106.8 | | |
| 113 | D | 35.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 52.6 | 104.3 | 161.1 | -86.8 | -34.9 | 0 | 0 | 0 | 121.7 | | |
| 114 | M | 38.9 | Very low | 38.4 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | | | | 35.9 | 136.1 | 103.1 | -69.6 | -75.4 | -84.6 | 0 | 0 | 121.7 | | |
| 115 | Q | 38.3 | Very low | 39.1 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | | | trans | 90.1 | 115.9 | 147.2 | -75.2 | -177 | 62.4 | 0 | 0 | 122.2 | | |
| 116 | R | 36.9 | Very low | 39 | Very low | 199 Ų | 199 | 131.5 Ų | 131.5 | 75% | 0.751 | 77% | 0.765 | S | S | * | * | | | | 80.9 | 127.6 | 123.8 | -81.7 | -179.6 | 155.3 | 164.9 | -15.4 | 122.2 | | |
| 117 | L | 40.1 | Very low | 39.5 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | 67.6 | 110.2 | 138.5 | -59.8 | 167.5 | 0 | 0 | 0 | 119 | | |
| 118 | S | 42 | Very low | 39.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | | -157.9 | 166.2 | 122.1 | 66.1 | 0 | 0 | 0 | 0 | 111 | | |
| 119 | V | 34.4 | Very low | 39.5 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -114.9 | 153.1 | -162.6 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 120 | N | 32.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 138 Ų | 138 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | 103.4 | 123.5 | 141.5 | -124 | 37 | 0 | 0 | 0 | 121.6 | | |
| 121 | E | 34.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 66% | 0.659 | 77% | 0.768 | S | S | * | * | | | trans | 71.8 | 115.3 | 139.1 | -79.8 | -167.6 | 113.8 | 0 | 0 | 124.3 | | |
| 122 | N | 34.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | | 84.3 | 85.8 | 128.2 | -59.2 | -9.1 | 0 | 0 | 0 | 119.3 | | |
| 123 | S | 40.9 | Very low | 41.9 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -144.5 | 144.1 | 143.9 | -77.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 124 | P | 47.5 | Very low | 43.2 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 156.5 | -172.7 | 29.3 | -35.6 | 0 | 0 | 0 | 112.7 | L126 | P124-L126 PolarHBondContact O-N 3.38Š|
| 125 | P | 46.7 | Very low | 44.5 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.3 | -175.4 | 26.1 | -34.2 | 0 | 0 | 0 | 112.1 | T127 | P125-T127 PolarHBondContact O-N 3.35Š|
| 126 | L | 44.5 | Very low | 45.6 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.5 | 169.3 | -76.8 | 157.9 | 0 | 0 | 0 | 109.9 | P124 | P124-L126 PolarHBondContact O-N 3.38Š|
| 127 | T | 41.8 | Very low | 47.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.2 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | P125 V129 | P125-T127 PolarHBondContact O-N 3.35Å; T127-V129 PolarHBondContact O-N 2.97Å; T127-V129 VanDerWaalsContact O-N 3.15Å |
| 128 | P | 44.4 | Very low | 48.1 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 121.2 | -179.4 | -23.2 | 33.7 | 0 | 0 | 0 | 111.2 | R130 | P128-R130 PolarHBondContact O-N 2.93Š|
| 129 | V | 40 | Very low | 49.1 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | trans | -57.6 | 109.9 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | T127 V131 | T127-V129 PolarHBondContact O-N 2.97Å; T127-V129 VanDerWaalsContact O-N 3.15Å; V129-V131 PolarHBondContact O-N 3.04Å |
| 130 | R | 43.5 | Very low | 49.8 | Very low | 234 Ų | 234 | 135.7 Ų | 135.7 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -65.4 | 105.9 | 173 | -67.9 | -179.1 | -175.7 | 159.5 | 1.6 | 107.6 | P128 S132 | P128-R130 PolarHBondContact O-N 2.93Å; R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.35Å |
| 131 | V | 45.2 | Very low | 50.4 | Low | 138 Ų | 138 | 137.6 Ų | 137.6 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | -64.8 | 96.1 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 108.1 | V129 K133 | V129-V131 PolarHBondContact O-N 3.04Å; V131-K133 PolarHBondContact O-N 2.82Å; V131-K133 VanDerWaalsContact O-N 3.11Å |
| 132 | S | 52.1 | Low | 50.9 | Low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -66.7 | 110 | 175 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | R130 | R130-S132 VanDerWaalsContact C-N 3.35Å; R130-S132 PolarHBondContact O-N 3.35Å |
| 133 | K | 65 | Low | 51.3 | Low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129 | 174.8 | -138.3 | 140.4 | -178.7 | 171.5 | 0 | 108.6 | V131 | V131-K133 PolarHBondContact O-N 2.82Å; V131-K133 VanDerWaalsContact O-N 3.11Å |
| 134 | P | 63.3 | Low | 51.7 | Low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144 | 178.1 | 26.3 | -33.4 | 0 | 0 | 0 | 110 | | |
| 135 | L | 65.8 | Low | 51.4 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 149.8 | 174.3 | -68.3 | 171.2 | 0 | 0 | 0 | 110.2 | | |
| 136 | P | 62.9 | Low | 51.4 | Low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.4 | 172.1 | 27.7 | -34.5 | 0 | 0 | 0 | 110.4 | | |
| 137 | P | 69.2 | Low | 51.8 | Low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 140.8 | 178.3 | 27.4 | -34.3 | 0 | 0 | 0 | 111 | | |
| 138 | I | 59.5 | Low | 52.2 | Low | 150 Ų | 150 | 142.9 Ų | 142.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72 | 133.7 | 173.5 | -56.3 | 175.1 | 0 | 0 | 0 | 107.8 | | |
| 139 | P | 62.4 | Low | 52.8 | Low | 101 Ų | 101 | 142.3 Ų | 142.3 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 146.2 | 175.7 | 25.8 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 140 | P | 50.2 | Low | 53.2 | Low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 139.4 | 179.8 | 27 | -34.1 | 0 | 0 | 0 | 110.8 | T142 | P140-T142 PolarHBondContact O-N 3.25Š|
| 141 | Q | 45.5 | Very low | 53.6 | Low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 126.6 | 169.8 | -65.9 | -69.7 | -32.1 | 0 | 0 | 108.5 | D143 | Q141-D143 PolarHBondContact O-N 3.44Š|
| 142 | T | 44 | Very low | 53.9 | Low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 106.7 | 167.7 | -50.1 | 0 | 0 | 0 | 0 | 107.7 | P140 I144 | P140-T142 PolarHBondContact O-N 3.25Å; T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 HydrophobicContact CG2-CG2 4.05Å; T142-I144 PolarHBondContact O-N 3.03Å |
| 143 | D | 43.3 | Very low | 54 | Low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -66.2 | 88.1 | 171.2 | -67.8 | -44 | 0 | 0 | 0 | 109.9 | Q141 | Q141-D143 PolarHBondContact O-N 3.44Š|
| 144 | I | 48.2 | Very low | 53.5 | Low | 145 Ų | 145 | 137.3 Ų | 137.3 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -94 | 119.2 | 164.9 | 51.8 | 172.1 | 0 | 0 | 0 | 109.5 | T142 T146 | T142-I144 VanDerWaalsContact C-N 3.3Å; T142-I144 HydrophobicContact CG2-CG2 4.05Å; T142-I144 PolarHBondContact O-N 3.03Å; I144-T146 PolarHBondContact O-N 3.41Å |
| 145 | S | 41.3 | Very low | 52.8 | Low | 113 Ų | 113 | 139.9 Ų | 139.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 121.2 | -173.1 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | E147 | S145-E147 PolarHBondContact O-N 3.36Š|
| 146 | T | 48.2 | Very low | 51.6 | Low | 148 Ų | 148 | 136.6 Ų | 136.6 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | | | trans | -78.6 | 67 | 175.2 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | I144 | I144-T146 PolarHBondContact O-N 3.41Š|
| 147 | E | 51.9 | Low | 50.5 | Low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -152.4 | 78.2 | 170.1 | -162.3 | 177.4 | -178.8 | 0 | 0 | 112.9 | S145 | S145-E147 PolarHBondContact O-N 3.36Š|
| 148 | Q | 50.2 | Low | 49 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -163.7 | 91.8 | 142.5 | -114 | 177 | -10.8 | 0 | 0 | 110.4 | V150 | Q148-V150 HydrophobicContact CG-CG2 4.11Å; Q148-V150 PolarHBondContact O-N 3.02Å |
| 149 | A | 56.7 | Low | 48.2 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | -81.5 | 103.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 150 | V | 48.3 | Very low | 47.4 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -128.5 | 129 | 168 | 177.8 | 0 | 0 | 0 | 0 | 106.4 | Q148 H152 | Q148-V150 HydrophobicContact CG-CG2 4.11Å; Q148-V150 PolarHBondContact O-N 3.02Å; V150-H152 PolarHBondContact O-N 2.95Å; V150-H152 VanDerWaalsContact O-N 3.15Å |
| 151 | D | 51.4 | Low | 47 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -54 | 119.4 | 175.3 | -74.7 | -52.1 | 0 | 0 | 0 | 110.3 | | |
| 152 | H | 53.4 | Low | 47 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 68.7 | 160.5 | -145.3 | -49 | 0 | 0 | 0 | 108.5 | V150 | V150-H152 PolarHBondContact O-N 2.95Å; V150-H152 VanDerWaalsContact O-N 3.15Å |
| 153 | E | 54.1 | Low | 47 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -57.8 | 173.9 | 149.4 | -51.3 | -160.9 | 135.7 | 0 | 0 | 109.2 | | |
| 154 | V | 52.8 | Low | 46.7 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.655 | 78% | 0.78 | S | S | * | * | | | trans | 87.8 | 95.7 | 176.1 | -167.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 155 | E | 48.6 | Very low | 46.1 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | trans | 86.3 | 150.2 | 133.9 | -69.2 | 167.4 | 179.4 | 0 | 0 | 124.1 | | |
| 156 | S | 42.1 | Very low | 45.9 | Very low | 92 Ų | 92 | 147 Ų | 147 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | | | trans | 78.4 | 132.4 | 167.8 | 78.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 157 | F | 39.5 | Very low | 45.2 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | cis | -136.7 | 120.5 | 8.7 | -65.4 | -94.7 | 0 | 0 | 0 | 112.2 | N159 | F157-N159 PolarHBondContact O-N 3.41Š|
| 158 | T | 36.9 | Very low | 44.6 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -78.3 | 105 | 153.5 | 46.8 | 0 | 0 | 0 | 0 | 108 | T160 | T158-T160 PolarHBondContact O-N 3.21Š|
| 159 | N | 42.2 | Very low | 44 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -64 | 130.2 | 175.2 | -93.6 | -47.7 | 0 | 0 | 0 | 110.8 | F157 D161 | F157-N159 PolarHBondContact O-N 3.41Å; N159-D161 PolarHBondContact O-N 3.35Å |
| 160 | T | 45.7 | Very low | 43.1 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | | | trans | -64.6 | 123.6 | 172.6 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | T158 E162 | T158-T160 PolarHBondContact O-N 3.21Å; T160-E162 HydrophobicContact CG2-CB 4.38Å |
| 161 | D | 42.3 | Very low | 42.8 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -136.2 | 99.9 | 146.3 | -170.7 | 26 | 0 | 0 | 0 | 108.4 | N159 | N159-D161 PolarHBondContact O-N 3.35Š|
| 162 | E | 45.7 | Very low | 42.1 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -104 | 97.9 | -178.5 | -175.2 | -175.3 | 174.1 | 0 | 0 | 108.7 | T160 | T160-E162 HydrophobicContact CG2-CB 4.38Š|
| 163 | S | 43.7 | Very low | 41.3 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -153.7 | 140.5 | 161.7 | -138 | 0 | 0 | 0 | 0 | 115.3 | | |
| 164 | C | 38.1 | Very low | 40.4 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 68% | 0.676 | 78% | 0.781 | S | S | * | * | | | trans | 82.2 | 74.4 | 160.4 | -62.4 | 0 | 0 | 0 | 0 | 120 | | |
| 165 | R | 36.1 | Very low | 39.9 | Very low | 223 Ų | 223 | 151.1 Ų | 151.1 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | | 85.4 | 114.4 | 115.3 | -74.9 | 166.8 | -176.6 | -175.3 | 1.4 | 120.8 | | |
| 166 | L | 37.1 | Very low | 39.2 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | 67.1 | 91.8 | 131.5 | -56.8 | 176.3 | 0 | 0 | 0 | 118.1 | | |
| 167 | V | 33.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | -90.6 | 112.9 | 150.6 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | N169 | V167-N169 PolarHBondContact O-N 2.94Š|
| 168 | S | 38 | Very low | 39.6 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -82.7 | 103.2 | 158.9 | -63.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 169 | N | 38.8 | Very low | 39.6 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -83.2 | 125.3 | 155.6 | -68.3 | -64.1 | 0 | 0 | 0 | 106.9 | V167 | V167-N169 PolarHBondContact O-N 2.94Š|
| 170 | D | 37.8 | Very low | 39.5 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -146.3 | 160.1 | 151.3 | -144.4 | -22.6 | 0 | 0 | 0 | 109.1 | | |
| 171 | D | 41.3 | Very low | 39.2 | Very low | 133 Ų | 133 | 157.1 Ų | 157.1 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -104 | -179 | -136.9 | -127.7 | -36 | 0 | 0 | 0 | 114.8 | | |
| 172 | Q | 37.6 | Very low | 39 | Very low | 151 Ų | 151 | 153 Ų | 153 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | 92.6 | 113.3 | 149.1 | -74.6 | 148.9 | 51.9 | 0 | 0 | 122.7 | | |
| 173 | Y | 35.7 | Very low | 39.1 | Very low | 220 Ų | 220 | 153.1 Ų | 153.1 | 86% | 0.863 | 81% | 0.806 | S | S | * | * | | | trans | 57.2 | 108.7 | 132.1 | -77.4 | -116.1 | 0 | 0 | 0 | 119.8 | | |
| 174 | S | 36.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | | -166.7 | 127.7 | 110.7 | -84.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 175 | K | 41.2 | Very low | 38.8 | Very low | 221 Ų | 221 | 157.3 Ų | 157.3 | 96% | 0.961 | 82% | 0.817 | S | S | * | * | | | trans | -90.1 | 122 | 165 | -76.3 | 177.5 | 177.7 | 172.9 | 0 | 109.3 | | |
| 176 | S | 34.7 | Very low | 39.3 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -146.6 | 125.7 | 154.2 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 177 | S | 38.8 | Very low | 39.9 | Very low | 114 Ų | 114 | 161.3 Ų | 161.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -98.7 | 167.6 | 162.8 | -164.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 178 | P | 49.9 | Very low | 40.4 | Very low | 106 Ų | 106 | 159.7 Ų | 159.7 | 69% | 0.688 | 81% | 0.814 | S | S | * | * | | | cis | -135.7 | 179.5 | 4.2 | 42.2 | -24.7 | 0 | 0 | 0 | 115.6 | | |
| 179 | F | 36.8 | Very low | 41 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | trans | 53.2 | 98.3 | 146.8 | -117.7 | -90.5 | 0 | 0 | 0 | 121.3 | | |
| 180 | R | 41.4 | Very low | 41.6 | Very low | 244 Ų | 244 | 165.8 Ų | 165.8 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | | | trans | -144.6 | 126.7 | 144.4 | -67.9 | -63.6 | -99 | -151.1 | -8.4 | 111.8 | | |
| 181 | Y | 38.8 | Very low | 42 | Very low | 228 Ų | 228 | 165.9 Ų | 165.9 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | | | trans | -70.7 | 135.9 | 160.7 | -111.3 | -113.2 | 0 | 0 | 0 | 108.9 | | |
| 182 | G | 39.2 | Very low | 42.9 | Very low | 73 Ų | 73 | 166.3 Ų | 166.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | | | trans | 177 | 94.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 183 | L | 47.3 | Very low | 44 | Very low | 177 Ų | 177 | 161.8 Ų | 161.8 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | | | trans | -39.7 | 126.7 | 174.4 | -61.4 | 160.8 | 0 | 0 | 0 | 116 | | |
| 184 | S | 40 | Very low | 45.6 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | | | trans | -175.8 | 77.3 | 139.8 | 37 | 0 | 0 | 0 | 0 | 111.1 | R186 | S184-R186 PolarHBondContact O-N 3.46Å; S184-R186 VanDerWaalsContact O-N 3.11Å |
| 185 | H | 36 | Very low | 47.3 | Very low | 177 Ų | 177 | 160 Ų | 160 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | | | trans | -68.8 | 110.3 | 178.4 | -164.6 | 81.4 | 0 | 0 | 0 | 110.2 | R187 | H185-R187 PolarHBondContact O-N 3.01Š|
| 186 | R | 46.4 | Very low | 48.6 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | | | trans | -59.6 | 99.3 | 179.4 | -71.8 | -172.5 | -179.6 | -92.1 | 3.9 | 110.9 | S184 | S184-R186 PolarHBondContact O-N 3.46Å; S184-R186 VanDerWaalsContact O-N 3.11Å |
| 187 | R | 49.5 | Very low | 50.1 | Low | 225 Ų | 225 | 157.9 Ų | 157.9 | 85% | 0.849 | 79% | 0.789 | S | S | * | * | | | trans | -82.6 | 116.7 | 160.6 | -74 | -175.1 | 177 | 160.2 | 1.2 | 108.4 | H185 L189 | H185-R187 PolarHBondContact O-N 3.01Å; R187-L189 PolarHBondContact O-N 3.25Å |
| 188 | S | 43.3 | Very low | 51.5 | Low | 87 Ų | 87 | 156.3 Ų | 156.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | -36.4 | 131.8 | 167.4 | 150.5 | 0 | 0 | 0 | 0 | 111.5 | R190 | S188-R190 PolarHBondContact O-N 3.14Š|
| 189 | L | 50.9 | Low | 51.9 | Low | 170 Ų | 170 | 161.4 Ų | 161.4 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -55.8 | 111.2 | 157.7 | -93.4 | 78.2 | 0 | 0 | 0 | 106.6 | R187 | R187-L189 PolarHBondContact O-N 3.25Š|
| 190 | R | 51.2 | Low | 53.3 | Low | 220 Ų | 220 | 159.7 Ų | 159.7 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | trans | -103.9 | 130.8 | 156.5 | -70.7 | -171.1 | -170.6 | -126.3 | 0.2 | 106.9 | S188 V192 | S188-R190 PolarHBondContact O-N 3.14Å; R190-V192 PolarHBondContact O-N 2.94Å |
| 191 | N | 46.3 | Very low | 54.5 | Low | 161 Ų | 161 | 156.1 Ų | 156.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -34.6 | 124.5 | 175.2 | -53.7 | -23.9 | 0 | 0 | 0 | 111.3 | G193 | N191-G193 PolarHBondContact O-N 2.78Å; N191-G193 VanDerWaalsContact O-N 3.1Å |
| 192 | V | 60 | Low | 55.9 | Low | 142 Ų | 142 | 146.5 Ų | 146.5 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | | | trans | -61.8 | 112.9 | 168.4 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | R190 | R190-V192 PolarHBondContact O-N 2.94Š|
| 193 | G | 59.3 | Low | 56.7 | Low | 56 Ų | 56 | 149.1 Ų | 149.1 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N191 I195 | N191-G193 PolarHBondContact O-N 2.78Å; N191-G193 VanDerWaalsContact O-N 3.1Å; G193-I195 PolarHBondContact O-N 3.27Å |
| 194 | E | 69.8 | Low | 56.9 | Low | 202 Ų | 202 | 149.4 Ų | 149.4 | 94% | 0.944 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125.5 | 173.6 | -68.8 | -176.5 | 138.6 | 0 | 0 | 110 | | |
| 195 | I | 73.3 | Confident | 56.9 | Low | 101 Ų | 101 | 147 Ų | 147 | 52% | 0.518 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -84.8 | 125.9 | 176.7 | 16 | 173.8 | 0 | 0 | 0 | 109 | G193 Y197 | G193-I195 PolarHBondContact O-N 3.27Å; I195-Y197 VanDerWaalsContact O-CD2 3.3Å; I195-Y197 WeakPolarHBondContact O-CD2 3.49Å; I195-Y197 WeakPolarHBondContact O-CE2 3.42Å; I195-Y197 PolarHBondContact O-N 3.1Å; I195-Y197 VanDerWaalsContact O-N 3.11Å |
| 196 | N | 68.4 | Low | 57.2 | Low | 116 Ų | 116 | 144.7 Ų | 144.7 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | trans | -75.6 | 102.3 | 176.9 | -172.3 | -16.3 | 0 | 0 | 0 | 110.3 | A198 Y199 | N196-A198 PolarHBondContact O-N 2.71Å; N196-A198 VanDerWaalsContact O-N 3.09Å; N196-A198 WeakPolarHBondContact OD1-CB 3.36Å; N196-A198 PolarHBondContact OD1-N 2.91Å; N196-A198 VanDerWaalsContact OD1-N 3.17Å; N196-Y199 PolarHBondContact O-N 3.36Å |
| 197 | Y | 66.5 | Low | 56.8 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 70% | 0.698 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -61 | -16.6 | -177.1 | -67.2 | -81.2 | 0 | 0 | 0 | 114.7 | I195 Y199 Y200 | I195-Y197 VanDerWaalsContact O-CD2 3.3Å; I195-Y197 WeakPolarHBondContact O-CD2 3.49Å; I195-Y197 WeakPolarHBondContact O-CE2 3.42Å; I195-Y197 PolarHBondContact O-N 3.1Å; I195-Y197 VanDerWaalsContact O-N 3.11Å; Y197-Y199 PolarHBondContact O-N 3.11Å; Y197-Y199 VanDerWaalsContact O-N 3.14Å; Y197-Y200 PolarHBondContact O-N 3.34Å |
| 198 | A | 68.1 | Low | 56 | Low | 80 Ų | 80 | 136.4 Ų | 136.4 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -65 | -13.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | N196 | N196-A198 PolarHBondContact O-N 2.71Å; N196-A198 VanDerWaalsContact O-N 3.09Å; N196-A198 WeakPolarHBondContact OD1-CB 3.36Å; N196-A198 PolarHBondContact OD1-N 2.91Å; N196-A198 VanDerWaalsContact OD1-N 3.17Å |
| 199 | Y | 56.8 | Low | 55.8 | Low | 213 Ų | 213 | 139 Ų | 139 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -127.6 | 11.3 | -178.3 | -78.4 | -85.3 | 0 | 0 | 0 | 114.1 | N196 Y197 | N196-Y199 PolarHBondContact O-N 3.36Å; Y197-Y199 PolarHBondContact O-N 3.11Å; Y197-Y199 VanDerWaalsContact O-N 3.14Å |
| 200 | Y | 67.8 | Low | 54.9 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | | | trans | -94.9 | 100.1 | -178.4 | -171.8 | -98.9 | 0 | 0 | 0 | 112.2 | Y197 | Y197-Y200 PolarHBondContact O-N 3.34Š|
| 201 | D | 65.6 | Low | 54 | Low | 168 Ų | 168 | 137.5 Ų | 137.5 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | | | trans | -102.7 | 78.5 | 174.4 | -160.5 | 13.6 | 0 | 0 | 0 | 109.6 | | |
| 202 | G | 68.2 | Low | 53.2 | Low | 26 Ų | 26 | 135.5 Ų | 135.5 | 27% | 0.268 | 74% | 0.736 | S | S | . | * | | | trans | -97.3 | 156.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | L204 | G202-L204 PolarHBondContact O-N 3.28Š|
| 203 | P | 55.6 | Low | 51.8 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | | | trans | -64.3 | 130.6 | -174.3 | -19.9 | 32.2 | 0 | 0 | 0 | 113.1 | G205 | P203-G205 PolarHBondContact O-N 3.48Š|
| 204 | L | 52 | Low | 50.7 | Low | 184 Ų | 184 | 139.3 Ų | 139.3 | 96% | 0.963 | 74% | 0.74 | S | S | * | * | | | trans | -65.9 | 94.9 | 173.2 | -71.3 | 166.9 | 0 | 0 | 0 | 111 | G202 | G202-L204 PolarHBondContact O-N 3.28Š|
| 205 | G | 40.8 | Very low | 49.1 | Very low | 61 Ų | 61 | 137.4 Ų | 137.4 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | | | trans | -86.2 | 150.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P203 H207 | P203-G205 PolarHBondContact O-N 3.48Å; G205-H207 PolarHBondContact O-N 3.27Å |
| 206 | P | 42 | Very low | 47.4 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | trans | -68.7 | 130.8 | -174 | 26.4 | -33.6 | 0 | 0 | 0 | 113.2 | T208 | P206-T208 PolarHBondContact O-N 3.23Š|
| 207 | H | 36.9 | Very low | 45.7 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -41.3 | 116.2 | 173.4 | -170.2 | -97.9 | 0 | 0 | 0 | 115.3 | G205 Q209 | G205-H207 PolarHBondContact O-N 3.27Å; H207-Q209 WeakPolarHBondContact CE1-CG 3.47Å |
| 208 | T | 33.5 | Very low | 44.2 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | -117.3 | 113.8 | 159 | -54.9 | 0 | 0 | 0 | 0 | 108.3 | P206 | P206-T208 PolarHBondContact O-N 3.23Š|
| 209 | Q | 39 | Very low | 42.6 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 75% | 0.754 | S | S | * | * | | | trans | -70.5 | 133.7 | 175 | -58.6 | -176.3 | 43.5 | 0 | 0 | 109.9 | H207 | H207-Q209 WeakPolarHBondContact CE1-CG 3.47Š|
| 210 | Q | 30.9 | Very low | 41.3 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | | | trans | -139.9 | 137.6 | 141.6 | -78 | -146 | -5.2 | 0 | 0 | 110.9 | | |
| 211 | H | 33.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | | | trans | -70.6 | 136.1 | -179.9 | -97.3 | -116.7 | 0 | 0 | 0 | 112.1 | | |
| 212 | S | 30.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -153.3 | 113 | 141.1 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 213 | Q | 30.6 | Very low | 36.6 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | -80.1 | 155.7 | 168.3 | -86.6 | -167.8 | -30.7 | 0 | 0 | 110.5 | | |
| 214 | P | 34.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | | -124.2 | 142.8 | 125.1 | 32.7 | -24.9 | 0 | 0 | 0 | 112.1 | | |
| 215 | Q | 36 | Very low | 35 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -82.8 | 153.1 | 173.1 | -67 | -170.1 | -3.5 | 0 | 0 | 112.1 | | |
| 216 | P | 38.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -114.5 | 154.8 | 145 | -2.2 | 23.3 | 0 | 0 | 0 | 113.1 | | |
| 217 | L | 32.2 | Very low | 34.6 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -78.7 | 140 | -176.1 | -96 | 104.8 | 0 | 0 | 0 | 115.1 | | |
| 218 | H | 35.4 | Very low | 34.7 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | trans | 52.9 | 117.3 | 139.4 | -100.3 | -131 | 0 | 0 | 0 | 123.3 | | |
| 219 | H | 34 | Very low | 34.9 | Very low | 144 Ų | 144 | 152.4 Ų | 152.4 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 142.7 | 131 | -74 | 42.3 | 0 | 0 | 0 | 119 | | |
| 220 | N | 31.1 | Very low | 35 | Very low | 104 Ų | 104 | 157 Ų | 157 | 56% | 0.556 | 79% | 0.789 | S | S | * | * | | | cis | -158.7 | 166 | -6 | -139.6 | -22.2 | 0 | 0 | 0 | 112.6 | | |
| 221 | H | 31.1 | Very low | 35.6 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | | | trans | 44.8 | 112.8 | 160.6 | -55.3 | -51.7 | 0 | 0 | 0 | 121.9 | | |
| 222 | H | 38.3 | Very low | 35.8 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | | -177.5 | 111.4 | 108.7 | -105.6 | -80.8 | 0 | 0 | 0 | 110.5 | | |
| 223 | A | 33 | Very low | 36 | Very low | 92 Ų | 92 | 160.7 Ų | 160.7 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -142.2 | 65 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 224 | Y | 32 | Very low | 36.3 | Very low | 223 Ų | 223 | 162.4 Ų | 162.4 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | | | trans | -150.2 | 88.4 | 171.3 | -84.5 | -75.9 | 0 | 0 | 0 | 110.9 | | |
| 225 | H | 40.9 | Very low | 36.3 | Very low | 170 Ų | 170 | 165.6 Ų | 165.6 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | | | trans | 177.2 | 89.5 | 152 | -106.4 | -58.3 | 0 | 0 | 0 | 109.8 | | |
| 226 | Q | 35.5 | Very low | 36 | Very low | 189 Ų | 189 | 167.5 Ų | 167.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -169.1 | 38.6 | 165.6 | -97.2 | -103.2 | 41.7 | 0 | 0 | 112.1 | | |
| 227 | Q | 39.3 | Very low | 35.6 | Very low | 181 Ų | 181 | 171.1 Ų | 171.1 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -126 | -6.8 | 178 | -89.3 | -172.2 | -33.5 | 0 | 0 | 116.4 | | |
| 228 | E | 38.3 | Very low | 35.6 | Very low | 161 Ų | 161 | 172.8 Ų | 172.8 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -97.3 | -10.9 | -174.8 | -71.6 | 179.7 | 130.8 | 0 | 0 | 115.4 | R230 | E228-R230 PolarHBondContact O-N 3.42Å; E228-R230 VanDerWaalsContact O-N 3.14Å |
| 229 | A | 39 | Very low | 35.4 | Very low | 104 Ų | 104 | 172.6 Ų | 172.6 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 13.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 230 | R | 40.4 | Very low | 36 | Very low | 237 Ų | 237 | 170.5 Ų | 170.5 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 7.3 | -171.6 | -117.9 | -176.4 | -178.6 | -169.2 | -0.4 | 116 | E228 | E228-R230 PolarHBondContact O-N 3.42Å; E228-R230 VanDerWaalsContact O-N 3.14Å |
| 231 | Q | 43 | Very low | 36.4 | Very low | 172 Ų | 172 | 171.1 Ų | 171.1 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -126.7 | 24.2 | -173.4 | -63.2 | -168.3 | 47.8 | 0 | 0 | 115.1 | | |
| 232 | Q | 37.9 | Very low | 36.4 | Very low | 184 Ų | 184 | 171.3 Ų | 171.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -135.2 | 59.9 | 175.8 | -70.1 | -161.8 | -9.2 | 0 | 0 | 114.2 | | |
| 233 | H | 35.1 | Very low | 36 | Very low | 199 Ų | 199 | 170 Ų | 170 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -157.1 | 47 | 151.4 | -124.5 | 78.2 | 0 | 0 | 0 | 114 | | |
| 234 | E | 36.4 | Very low | 35.9 | Very low | 191 Ų | 191 | 170 Ų | 170 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -121.2 | 61.6 | 172.5 | -161.3 | 177.5 | 174.7 | 0 | 0 | 110.7 | | |
| 235 | Q | 34.3 | Very low | 35.7 | Very low | 191 Ų | 191 | 164.2 Ų | 164.2 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -159.4 | 64.1 | 172.9 | -133.9 | 169.8 | 88.7 | 0 | 0 | 115.3 | | |
| 236 | Q | 31 | Very low | 35.2 | Very low | 201 Ų | 201 | 161.5 Ų | 161.5 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | | | trans | -155.2 | 109.9 | 141.1 | -124.7 | 175.5 | 11 | 0 | 0 | 111.9 | | |
| 237 | R | 28.4 | Very low | 35.7 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | | | trans | -118.6 | 118.3 | 171.4 | -173.2 | -175 | -164.5 | -101.5 | -9.1 | 107.5 | E239 | R237-E239 IonicContact CZ-OE1 2.86Å; R237-E239 IonicContact NH1-OE1 3.5Å; R237-E239 PolarHBondContact NH1-OE1 3.18Å; R237-E239 IonicContact NH2-OE1 2.73Å; R237-E239 PolarHBondContact NH2-OE1 3.42Å |
| 238 | Q | 32.7 | Very low | 35.7 | Very low | 195 Ų | 195 | 160.1 Ų | 160.1 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | trans | -132.7 | 152.7 | 155.7 | -72.8 | -161.7 | -5.4 | 0 | 0 | 108.7 | | |
| 239 | E | 31.5 | Very low | 35.9 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 65% | 0.654 | 82% | 0.815 | S | S | * | * | | | trans | -105.2 | 174.2 | -153.5 | -104.1 | -146.2 | 158.3 | 0 | 0 | 115.3 | R237 | R237-E239 IonicContact CZ-OE1 2.86Å; R237-E239 IonicContact NH1-OE1 3.5Å; R237-E239 PolarHBondContact NH1-OE1 3.18Å; R237-E239 IonicContact NH2-OE1 2.73Å; R237-E239 PolarHBondContact NH2-OE1 3.42Å |
| 240 | P | 45.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 162 Ų | 162 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | | | trans | -96.3 | -168.8 | -158.4 | 41.5 | -39.2 | 0 | 0 | 0 | 114.3 | | |
| 241 | P | 41.1 | Very low | 35.9 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | | | | -141.4 | 157.6 | 92.5 | 35.5 | -19.2 | 0 | 0 | 0 | 117.8 | | |
| 242 | E | 29.8 | Very low | 35.9 | Very low | 156 Ų | 156 | 159.1 Ų | 159.1 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | | | trans | 1.2 | 138.6 | 159.2 | -42.7 | -168.7 | 111.5 | 0 | 0 | 120.4 | | |
| 243 | H | 31.6 | Very low | 35.8 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | | -172.7 | 165.6 | 60.9 | -100.9 | -65.3 | 0 | 0 | 0 | 114.1 | | |
| 244 | A | 30.3 | Very low | 36.4 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | 83.9 | 110.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 245 | A | 27.9 | Very low | 36.9 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 67.2 | 106.5 | 136 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 246 | C | 29.5 | Very low | 37.8 | Very low | 112 Ų | 112 | 154.7 Ų | 154.7 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | -78.6 | 155.2 | 155.2 | -156.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 247 | P | 46.6 | Very low | 38.3 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -143 | 162.9 | 99.7 | 37.3 | -23.2 | 0 | 0 | 0 | 115.9 | | |
| 248 | R | 40 | Very low | 39.4 | Very low | 221 Ų | 221 | 153.9 Ų | 153.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -66 | 163.1 | 172.4 | -63.5 | 174.4 | 175 | 154.4 | -2 | 112.3 | | |
| 249 | P | 41.8 | Very low | 39.8 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | | -132.3 | 131.1 | 127.7 | 29.7 | -15.7 | 0 | 0 | 0 | 113.7 | | |
| 250 | Q | 43.9 | Very low | 40.2 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -87.8 | 134.2 | 149.4 | -66.4 | 179.3 | -32.8 | 0 | 0 | 107.1 | | |
| 251 | D | 35 | Very low | 40.2 | Very low | 160 Ų | 160 | 160.9 Ų | 160.9 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -160.3 | 157.1 | 132.3 | -139.1 | -23.3 | 0 | 0 | 0 | 113.9 | | |
| 252 | K | 42.9 | Very low | 40.6 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | | | trans | -102.5 | 92.5 | -169.2 | -61.1 | 167.9 | -175.5 | 172.2 | 0 | 110.2 | Q254 | K252-Q254 PolarHBondContact O-N 3.25Š|
| 253 | A | 37.3 | Very low | 41.8 | Very low | 95 Ų | 95 | 156 Ų | 156 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -71.3 | 90.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R255 | A253-R255 PolarHBondContact O-N 3.12Š|
| 254 | Q | 46.4 | Very low | 42.6 | Very low | 168 Ų | 168 | 154.8 Ų | 154.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -64.4 | 102.3 | 167.5 | -71.3 | -166.9 | -6.8 | 0 | 0 | 111.2 | K252 K256 | K252-Q254 PolarHBondContact O-N 3.25Å; Q254-K256 PolarHBondContact O-N 2.88Å |
| 255 | R | 47.2 | Very low | 43.2 | Very low | 236 Ų | 236 | 155.1 Ų | 155.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | trans | -82.6 | 79.8 | -176.8 | -158.7 | 179.3 | -65.4 | 163.3 | -0.4 | 111.9 | A253 L257 | A253-R255 PolarHBondContact O-N 3.12Å; R255-L257 PolarHBondContact O-N 3.17Å |
| 256 | K | 53.9 | Low | 44 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | | | trans | -65.8 | 116.2 | 171.6 | -76.7 | -179.2 | 178.2 | 173.8 | 0 | 110.7 | Q254 R258 | Q254-K256 PolarHBondContact O-N 2.88Å; K256-R258 PolarHBondContact O-N 2.92Å |
| 257 | L | 41.9 | Very low | 44.8 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | -66.7 | 97.9 | -179.9 | -175.6 | 66.8 | 0 | 0 | 0 | 111.4 | R255 R259 | R255-L257 PolarHBondContact O-N 3.17Å; L257-R259 PolarHBondContact O-N 3.44Å |
| 258 | R | 51 | Low | 44.8 | Very low | 214 Ų | 214 | 156.4 Ų | 156.4 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | trans | -74.1 | 115.9 | 166.8 | -72.9 | -71.4 | -169.6 | -169.9 | 2 | 109 | K256 W260 | K256-R258 PolarHBondContact O-N 2.92Å; R258-W260 PolarHBondContact O-N 3.5Å |
| 259 | R | 40.6 | Very low | 44.7 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 77% | 0.774 | 82% | 0.816 | S | S | * | * | | | trans | -69.5 | 110.4 | 173.5 | -178.4 | -175.8 | -66.8 | -131.2 | -1.8 | 109.6 | L257 H261 | L257-R259 PolarHBondContact O-N 3.44Å; R259-H261 WeakPolarHBondContact CD-NE2 3.3Å |
| 260 | W | 38.9 | Very low | 45.2 | Very low | 224 Ų | 224 | 157.7 Ų | 157.7 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | -83.5 | 117.9 | 171.9 | -74.5 | 79.8 | 0 | 0 | 0 | 110 | R258 | R258-W260 PolarHBondContact O-N 3.5Š|
| 261 | H | 47.7 | Very low | 45.2 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | | | trans | -102.9 | 111.1 | 165.2 | -75.6 | -77.9 | 0 | 0 | 0 | 108.3 | R259 | R259-H261 WeakPolarHBondContact CD-NE2 3.3Š|
| 262 | S | 48.8 | Very low | 45.7 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | -146.4 | 91.7 | 173.6 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 263 | G | 54.3 | Low | 45.8 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -81.4 | 155 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A265 | G263-A265 PolarHBondContact O-N 3.21Š|
| 264 | P | 48.1 | Very low | 46.1 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -74.9 | 106.9 | -178.5 | 29.8 | -33.2 | 0 | 0 | 0 | 111 | | |
| 265 | A | 43.7 | Very low | 46.2 | Very low | 100 Ų | 100 | 156.5 Ų | 156.5 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -82.5 | 125.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.5 | G263 | G263-A265 PolarHBondContact O-N 3.21Š|
| 266 | G | 45.4 | Very low | 45.9 | Very low | 83 Ų | 83 | 153.2 Ų | 153.2 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -71.2 | 146.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 267 | S | 45.8 | Very low | 45.3 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -143.3 | 117.6 | 165.9 | -173 | 0 | 0 | 0 | 0 | 109.3 | | |
| 268 | L | 46.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | | | trans | -85.1 | 132.5 | -175.9 | -163.7 | 77.7 | 0 | 0 | 0 | 109.7 | K270 | L268-K270 PolarHBondContact O-N 3.09Š|
| 269 | H | 37.3 | Very low | 45 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | | | trans | -56.5 | 128.9 | 179.7 | -67.6 | -76 | 0 | 0 | 0 | 112.9 | | |
| 270 | K | 52 | Low | 44.8 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | | | trans | -140.3 | 136.3 | 158.3 | -69.3 | -171.7 | 178.6 | -178.6 | 0 | 109.4 | L268 | L268-K270 PolarHBondContact O-N 3.09Š|
| 271 | P | 44.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | -76.4 | 156.8 | 177.4 | 31.9 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 272 | P | 46.5 | Very low | 44 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | | | trans | -82.2 | 148.1 | -175.7 | 33.8 | -35.3 | 0 | 0 | 0 | 112.1 | | |
| 273 | S | 43.1 | Very low | 43.3 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -141.6 | 114.4 | 171.2 | -60 | 0 | 0 | 0 | 0 | 111.7 | | |
| 274 | L | 45.2 | Very low | 42.3 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | | | trans | 57.4 | 108.1 | 148.7 | -53.1 | -179.9 | 0 | 0 | 0 | 118.9 | | |
| 275 | R | 47.9 | Very low | 42 | Very low | 239 Ų | 239 | 145.7 Ų | 145.7 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -57.8 | 145.6 | 158.4 | -27.1 | 172.1 | -162.8 | 164.6 | 5 | 109.4 | | |
| 276 | L | 40.1 | Very low | 42.4 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -164.9 | 115 | 135.7 | -129.2 | 73.4 | 0 | 0 | 0 | 110.4 | | |
| 277 | C | 41.2 | Very low | 43 | Very low | 133 Ų | 133 | 153.2 Ų | 153.2 | 90% | 0.899 | 81% | 0.814 | S | S | * | * | | | trans | -134.7 | 130.6 | 165.2 | -68.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 278 | P | 46.9 | Very low | 43.5 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | | | trans | -118.5 | 136.4 | 152.8 | 12.5 | 8.1 | 0 | 0 | 0 | 112 | | |
| 279 | K | 40.3 | Very low | 43.9 | Very low | 198 Ų | 198 | 154 Ų | 154 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -66.4 | 158.3 | 172.8 | -66.6 | 167.5 | 169.1 | 175.1 | 0 | 112 | | |
| 280 | R | 36.9 | Very low | 45.3 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | | 166.6 | 163.8 | 100.2 | -82.5 | -171.9 | -153.2 | -166.1 | 9 | 113.4 | | |
| 281 | Y | 33.5 | Very low | 46 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 73% | 0.725 | 80% | 0.795 | S | S | * | * | | | trans | 67.4 | 110.1 | 170.8 | -60.8 | -78.2 | 0 | 0 | 0 | 115.5 | | |
| 282 | T | 36 | Very low | 47 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 63% | 0.632 | 79% | 0.793 | S | S | * | * | | | | 85 | 127.3 | 50.4 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 283 | N | 33.6 | Very low | 47.9 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | 83.8 | 138.1 | 160.4 | -47.9 | -25.7 | 0 | 0 | 0 | 118 | | |
| 284 | G | 34.6 | Very low | 48.9 | Very low | 68 Ų | 68 | 147.7 Ų | 147.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | trans | 132 | 91.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 285 | S | 40.8 | Very low | 49.6 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 38.3 | 113.6 | 145.7 | 57.3 | 0 | 0 | 0 | 0 | 121 | K287 | S285-K287 PolarHBondContact O-N 3.17Š|
| 286 | D | 52.3 | Low | 50.3 | Low | 159 Ų | 159 | 139 Ų | 139 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -1.9 | 112.1 | 140.2 | -176.1 | 22.5 | 0 | 0 | 0 | 117.6 | | |
| 287 | K | 58 | Low | 51.1 | Low | 182 Ų | 182 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -157.4 | 136.7 | 150 | -156.3 | 170 | -174 | 176.9 | 0 | 109 | S285 E289 | S285-K287 PolarHBondContact O-N 3.17Å; K287-E289 PolarHBondContact O-N 3.11Å; K287-E289 VanDerWaalsContact O-N 3.11Å |
| 288 | P | 55.6 | Low | 51.2 | Low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -68.2 | 110.4 | 168.9 | 26.8 | -32.2 | 0 | 0 | 0 | 109.2 | V290 | P288-V290 PolarHBondContact O-N 3.33Š|
| 289 | E | 56 | Low | 51.4 | Low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -71.8 | 97.5 | 175.7 | -168.8 | 173.2 | 171 | 0 | 0 | 109.5 | K287 | K287-E289 PolarHBondContact O-N 3.11Å; K287-E289 VanDerWaalsContact O-N 3.11Å |
| 290 | V | 67.3 | Low | 51.8 | Low | 120 Ų | 120 | 144.3 Ų | 144.3 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 125.2 | 173.1 | 178 | 0 | 0 | 0 | 0 | 108.1 | P288 | P288-V290 PolarHBondContact O-N 3.33Š|
| 291 | P | 65.9 | Low | 52.5 | Low | 104 Ų | 104 | 140.8 Ų | 140.8 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 140.1 | 179.6 | 25.6 | -34.1 | 0 | 0 | 0 | 110.1 | | |
| 292 | P | 64.3 | Low | 53.4 | Low | 108 Ų | 108 | 138.3 Ų | 138.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142.7 | -177.6 | 24.8 | -34 | 0 | 0 | 0 | 110.9 | I294 | P292-I294 PolarHBondContact O-N 2.98Š|
| 293 | P | 65.8 | Low | 54 | Low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 133.5 | -177.3 | 24.1 | -33.3 | 0 | 0 | 0 | 111.3 | | |
| 294 | I | 64.9 | Low | 54.7 | Low | 138 Ų | 138 | 139.4 Ų | 139.4 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.6 | -179.3 | -57.5 | 170.8 | 0 | 0 | 0 | 108.7 | P292 | P292-I294 PolarHBondContact O-N 2.98Š|
| 295 | P | 59.1 | Low | 55.6 | Low | 101 Ų | 101 | 146.7 Ų | 146.7 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 142.3 | 176.6 | 25.8 | -33.7 | 0 | 0 | 0 | 110.7 | R297 | P295-R297 PolarHBondContact O-N 2.62Š|
| 296 | P | 62.3 | Low | 56.2 | Low | 128 Ų | 128 | 151.4 Ų | 151.4 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.9 | -177.5 | 24.8 | -33.5 | 0 | 0 | 0 | 110.4 | M298 | P296-M298 PolarHBondContact O-N 2.73Š|
| 297 | R | 57.2 | Low | 55.9 | Low | 216 Ų | 216 | 156.1 Ų | 156.1 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 126.9 | 175.7 | -65 | -177.5 | -177.3 | 126.7 | 1.4 | 108.8 | P295 I299 | P295-R297 PolarHBondContact O-N 2.62Å; R297-I299 PolarHBondContact O-N 2.95Å |
| 298 | M | 44 | Very low | 55.5 | Low | 170 Ų | 170 | 151.4 Ų | 151.4 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | | | trans | -59.3 | 111.2 | 174.2 | -66.2 | 176.5 | 72.2 | 0 | 0 | 109.6 | P296 K300 | P296-M298 PolarHBondContact O-N 2.73Å; M298-K300 PolarHBondContact O-N 2.71Å |
| 299 | I | 51.2 | Low | 55.4 | Low | 158 Ų | 158 | 151 Ų | 151 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -73.5 | 93.3 | 175.6 | -38 | 172.8 | 0 | 0 | 0 | 107.2 | R297 T301 | R297-I299 PolarHBondContact O-N 2.95Å; I299-T301 PolarHBondContact O-N 2.84Å |
| 300 | K | 47.7 | Very low | 54.9 | Low | 188 Ų | 188 | 150.6 Ų | 150.6 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -71.2 | 102.2 | 167.8 | -80.3 | -170.6 | 173.7 | -176.3 | 0 | 108.1 | M298 T302 | M298-K300 PolarHBondContact O-N 2.71Å; K300-T302 PolarHBondContact O-N 3.18Å |
| 301 | T | 52.2 | Low | 54 | Low | 130 Ų | 130 | 151 Ų | 151 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -57.1 | 99.9 | 168.8 | 39.5 | 0 | 0 | 0 | 0 | 110.8 | I299 | I299-T301 PolarHBondContact O-N 2.84Š|
| 302 | T | 52.2 | Low | 53.3 | Low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -167.9 | 144.2 | 141.6 | -69.2 | 0 | 0 | 0 | 0 | 106.9 | K300 | K300-T302 PolarHBondContact O-N 3.18Š|
| 303 | E | 49 | Very low | 52.6 | Low | 156 Ų | 156 | 152.3 Ų | 152.3 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | | | trans | 68.7 | 67.7 | 179.9 | -156.1 | 165.4 | -135 | 0 | 0 | 116.5 | | |
| 304 | S | 48.4 | Very low | 51.9 | Low | 133 Ų | 133 | 149.6 Ų | 149.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | -138.6 | 45.1 | 156 | -70.1 | 0 | 0 | 0 | 0 | 111 | | |
| 305 | R | 53.8 | Low | 51.1 | Low | 220 Ų | 220 | 147.5 Ų | 147.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -149.9 | 66.1 | 175.3 | -152.3 | -152.1 | -56.8 | -99.9 | 8.5 | 112 | | |
| 306 | R | 53.1 | Low | 50.5 | Low | 215 Ų | 215 | 153 Ų | 153 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -135.3 | 7.2 | 169.3 | -137.7 | 175.6 | -173.1 | 172.5 | 1.5 | 115.6 | | |
| 307 | W | 46.5 | Very low | 50.3 | Low | 258 Ų | 258 | 152.1 Ų | 152.1 | 98% | 0.977 | 81% | 0.805 | S | S | * | * | | | trans | -118.3 | 84.7 | 161.8 | -70.4 | -17.4 | 0 | 0 | 0 | 108.9 | | |
| 308 | S | 49.8 | Very low | 50.3 | Low | 83 Ų | 83 | 146.5 Ų | 146.5 | 58% | 0.58 | 79% | 0.791 | S | S | * | * | | | trans | -143.8 | 117.2 | 162.5 | -64.3 | 0 | 0 | 0 | 0 | 106.1 | E310 | S308-E310 PolarHBondContact O-N 3.01Š|
| 309 | A | 52.8 | Low | 50.8 | Low | 99 Ų | 99 | 145.8 Ų | 145.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -77.1 | 100.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V311 | A309-V311 PolarHBondContact O-N 3.15Š|
| 310 | E | 45.7 | Very low | 51.5 | Low | 178 Ų | 178 | 146.1 Ų | 146.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -94.2 | 92.2 | 168.4 | -69.3 | -176 | -144.9 | 0 | 0 | 107.9 | S308 S312 | S308-E310 PolarHBondContact O-N 3.01Å; E310-S312 PolarHBondContact O-N 2.99Å |
| 311 | V | 48.3 | Very low | 52.5 | Low | 128 Ų | 128 | 142.7 Ų | 142.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -74.7 | 110.3 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | A309 P313 | A309-V311 PolarHBondContact O-N 3.15Å; V311-P313 WeakPolarHBondContact O-CD 3.02Å |
| 312 | S | 50.4 | Low | 53.6 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -76.9 | 119.1 | 169.5 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | E310 G314 | E310-S312 PolarHBondContact O-N 2.99Å; S312-G314 PolarHBondContact O-N 3.02Å |
| 313 | P | 50.7 | Low | 54.5 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | | | trans | -88.2 | 106.5 | 174.8 | 33.1 | -28.6 | 0 | 0 | 0 | 109.7 | V311 | V311-P313 WeakPolarHBondContact O-CD 3.02Š|
| 314 | G | 50 | Low | 55.4 | Low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -174.1 | 120.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S312 | S312-G314 PolarHBondContact O-N 3.02Š|
| 315 | A | 48.5 | Very low | 56.3 | Low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 73.3 | 106.8 | 167 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 316 | Y | 47.6 | Very low | 57.2 | Low | 215 Ų | 215 | 135.5 Ų | 135.5 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | 62.5 | 86.1 | 140.7 | -85.7 | -95.6 | 0 | 0 | 0 | 119.8 | D318 | Y316-D318 PolarHBondContact O-N 2.88Å; Y316-D318 VanDerWaalsContact O-N 3.12Å |
| 317 | S | 57.2 | Low | 58 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | | 32.5 | 72.6 | 111.2 | -178.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 318 | D | 57.2 | Low | 59 | Low | 97 Ų | 97 | 128 Ų | 128 | 52% | 0.519 | 74% | 0.736 | S | S | . | * | | | trans | -137.5 | 22.7 | 162.5 | -157 | 37.4 | 0 | 0 | 0 | 112.7 | Y316 K321 | Y316-D318 PolarHBondContact O-N 2.88Å; Y316-D318 VanDerWaalsContact O-N 3.12Å; D318-K321 WeakPolarHBondContact OD1-CE 3.31Å; D318-K321 IonicContact OD1-NZ 3.62Å; D318-K321 PolarHBondContact OD1-NZ 2.99Å; D318-K321 WeakPolarHBondContact OD2-CD 3.48Å; D318-K321 IonicContact OD2-NZ 2.62Å; D318-K321 PolarHBondContact OD2-NZ 3.09Å |
| 319 | D | 54.8 | Low | 59.5 | Low | 156 Ų | 156 | 129.3 Ų | 129.3 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | -90.2 | 5.1 | -167.1 | -67.3 | -77.1 | 0 | 0 | 0 | 115.7 | K321 | D319-K321 VanDerWaalsContact C-N 3.29Š|
| 320 | D | 65.7 | Low | 59.4 | Low | 165 Ų | 165 | 133.9 Ų | 133.9 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | | | trans | -97.4 | 30.6 | 169.5 | -162 | 36.8 | 0 | 0 | 0 | 112.5 | | |
| 321 | K | 69.3 | Low | 59.7 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 50% | 0.5 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -106.1 | 116.8 | 167.6 | -68.8 | 173.3 | -177.3 | 164.4 | 0 | 107.2 | D318 D319 | D318-K321 WeakPolarHBondContact OD1-CE 3.31Å; D318-K321 IonicContact OD1-NZ 3.62Å; D318-K321 PolarHBondContact OD1-NZ 2.99Å; D318-K321 WeakPolarHBondContact OD2-CD 3.48Å; D318-K321 IonicContact OD2-NZ 2.62Å; D318-K321 PolarHBondContact OD2-NZ 3.09Å; D319-K321 VanDerWaalsContact C-N 3.29Å |
| 322 | P | 74.6 | Confident | 59.8 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | | | trans | -54.9 | 140.9 | 171.6 | 24.6 | -33.2 | 0 | 0 | 0 | 108.3 | K324 | P322-K324 PolarHBondContact O-N 3.47Å; P322-K324 VanDerWaalsContact O-N 3.17Å |
| 323 | P | 71.9 | Confident | 60.1 | Low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | | | trans | -52.6 | 129.1 | -172.5 | 20.8 | -33.2 | 0 | 0 | 0 | 109.1 | L325 | P323-L325 PolarHBondContact O-N 2.83Š|
| 324 | K | 67.5 | Low | 60.1 | Low | 197 Ų | 197 | 135.7 Ų | 135.7 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | | | trans | -61.4 | 88.2 | 179 | -72 | 176.9 | -178.1 | 170.6 | 0 | 108.5 | P322 | P322-K324 PolarHBondContact O-N 3.47Å; P322-K324 VanDerWaalsContact O-N 3.17Å |
| 325 | L | 66.1 | Low | 60.4 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 52% | 0.524 | 73% | 0.733 | S | S | . | * | | | trans | -56.7 | 135.8 | 172.8 | -62.7 | -179.7 | 0 | 0 | 0 | 106.6 | P323 | P323-L325 PolarHBondContact O-N 2.83Š|
| 326 | P | 73.6 | Confident | 60.7 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | -52.3 | 144.3 | 169.8 | 24.7 | -33.6 | 0 | 0 | 0 | 108 | R328 | P326-R328 PolarHBondContact O-N 2.85Š|
| 327 | P | 69.5 | Low | 61.5 | Low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | | | trans | -45.5 | 118.5 | 177.3 | -28.2 | 34.9 | 0 | 0 | 0 | 108.6 | D329 | P327-D329 PolarHBondContact O-N 3.18Š|
| 328 | R | 67.2 | Low | 61.6 | Low | 199 Ų | 199 | 139.9 Ų | 139.9 | 75% | 0.751 | 72% | 0.717 | S | S | * | * | | | trans | -68.7 | 96.9 | 171.8 | -79.5 | -170 | 176.3 | 99.5 | -0.8 | 105 | P326 H330 | P326-R328 PolarHBondContact O-N 2.85Å; R328-H330 PolarHBondContact O-N 3.46Å |
| 329 | D | 59.9 | Low | 61.6 | Low | 110 Ų | 110 | 141 Ų | 141 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | | | trans | -43.7 | 133.4 | 166.7 | -69 | -50.8 | 0 | 0 | 0 | 107.4 | P327 F331 | P327-D329 PolarHBondContact O-N 3.18Å; D329-F331 HydrophobicContact CB-CD2 3.93Å; D329-F331 HydrophobicContact CB-CE1 4.4Å; D329-F331 HydrophobicContact CB-CE2 3.7Å; D329-F331 HydrophobicContact CB-CG 4.39Å; D329-F331 HydrophobicContact CB-CZ 3.94Å; D329-F331 VanDerWaalsContact O-CD2 3.31Å; D329-F331 WeakPolarHBondContact O-CD2 3.33Å; D329-F331 PolarHBondContact O-N 3.14Å |
| 330 | H | 52.1 | Low | 61.8 | Low | 195 Ų | 195 | 136.8 Ų | 136.8 | 90% | 0.903 | 71% | 0.712 | S | S | * | * | | | trans | -72 | 66.1 | 173.2 | -71.1 | -90.7 | 0 | 0 | 0 | 108.6 | R328 | R328-H330 PolarHBondContact O-N 3.46Š|
| 331 | F | 51.5 | Low | 61.7 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 69% | 0.689 | 71% | 0.71 | S | S | * | * | | | trans | -52.2 | 126.1 | 175.8 | -74.4 | -73.3 | 0 | 0 | 0 | 108 | D329 R333 | D329-F331 HydrophobicContact CB-CD2 3.93Å; D329-F331 HydrophobicContact CB-CE1 4.4Å; D329-F331 HydrophobicContact CB-CE2 3.7Å; D329-F331 HydrophobicContact CB-CG 4.39Å; D329-F331 HydrophobicContact CB-CZ 3.94Å; D329-F331 VanDerWaalsContact O-CD2 3.31Å; D329-F331 WeakPolarHBondContact O-CD2 3.33Å; D329-F331 PolarHBondContact O-N 3.14Å; F331-R333 PolarHBondContact O-N 3.33Å |
| 332 | P | 49.8 | Very low | 61.9 | Low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -59.9 | 109.5 | 179.2 | 23.6 | -32.8 | 0 | 0 | 0 | 108.7 | S334 | P332-S334 PolarHBondContact O-N 3.12Š|
| 333 | R | 57.9 | Low | 62.3 | Low | 201 Ų | 201 | 137.7 Ų | 137.7 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | | | trans | 16.8 | 83.8 | 172.1 | -172.3 | 178.2 | -70.6 | -132.6 | -2.3 | 113.5 | F331 I335 | F331-R333 PolarHBondContact O-N 3.33Å; R333-I335 PolarHBondContact O-N 2.69Å |
| 334 | S | 49.9 | Very low | 63.2 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | | | trans | -39.3 | 109.7 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 112 | P332 S336 | P332-S334 PolarHBondContact O-N 3.12Å; S334-S336 PolarHBondContact O-N 3.17Å |
| 335 | I | 56.3 | Low | 64.2 | Low | 157 Ų | 157 | 133.9 Ų | 133.9 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | | | trans | -71.9 | 101.2 | 174.2 | -59.4 | 174.6 | 0 | 0 | 0 | 106.5 | R333 R337 | R333-I335 PolarHBondContact O-N 2.69Å; I335-R337 PolarHBondContact O-N 3.45Å |
| 336 | S | 55.6 | Low | 65.5 | Low | 73 Ų | 73 | 134.7 Ų | 134.7 | 51% | 0.51 | 72% | 0.719 | S | S | . | * | | | trans | -51.5 | 122.8 | 179.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | S334 T338 | S334-S336 PolarHBondContact O-N 3.17Å; S336-T338 PolarHBondContact O-N 3.19Å; S336-T338 PolarHBondContact OG-O 2.8Å; S336-T338 PolarHBondContact OG-OG1 2.92Å; S336-T338 VanDerWaalsContact OG-OG1 3.06Å |
| 337 | R | 63.3 | Low | 66.5 | Low | 251 Ų | 251 | 133.4 Ų | 133.4 | 95% | 0.947 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -73.5 | -1.8 | 179.1 | -74.6 | -174.8 | 169 | -169.7 | -3.2 | 113.9 | I335 | I335-R337 PolarHBondContact O-N 3.45Š|
| 338 | T | 59.8 | Low | 67.6 | Low | 97 Ų | 97 | 135.9 Ų | 135.9 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.3 | 122.6 | 163.2 | 54.6 | 0 | 0 | 0 | 0 | 108.8 | S336 S340 | S336-T338 PolarHBondContact O-N 3.19Å; S336-T338 PolarHBondContact OG-O 2.8Å; S336-T338 PolarHBondContact OG-OG1 2.92Å; S336-T338 VanDerWaalsContact OG-OG1 3.06Å; T338-S340 PolarHBondContact O-N 3.06Å |
| 339 | P | 56.4 | Low | 68.9 | Low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | | | trans | -68.6 | 89.6 | 170.8 | 28.9 | -32.7 | 0 | 0 | 0 | 107.9 | | |
| 340 | S | 59.3 | Low | 70.5 | Confident | 68 Ų | 68 | 131.2 Ų | 131.2 | 48% | 0.476 | 71% | 0.707 | S | S | . | * | | | trans | -58.4 | 134.5 | 175.1 | -165.6 | 0 | 0 | 0 | 0 | 108 | T338 K342 S343 | T338-S340 PolarHBondContact O-N 3.06Å; S340-K342 PolarHBondContact O-N 3.21Å; S340-S343 PolarHBondContact O-N 2.72Å |
| 341 | P | 65.2 | Low | 72.6 | Confident | 129 Ų | 129 | 127 Ų | 127 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 18 | -172.5 | 28.6 | -36.9 | 0 | 0 | 0 | 114.5 | | |
| 342 | K | 72.9 | Confident | 74.7 | Confident | 179 Ų | 179 | 125.8 Ų | 125.8 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 28.5 | -178 | -59.9 | -178.5 | -179.7 | 177.1 | 0 | 111.5 | S340 L344 | S340-K342 PolarHBondContact O-N 3.21Å; K342-L344 PolarHBondContact O-N 3.48Å |
| 343 | S | 82.9 | Confident | 77 | Confident | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | | | trans | -73.5 | 69.7 | 177.2 | 62.6 | 0 | 0 | 0 | 0 | 111.8 | S340 | S340-S343 PolarHBondContact O-N 2.72Š|
| 344 | L | 89.7 | Confident | 78.8 | Confident | 144 Ų | 144 | 119.8 Ų | 119.8 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 146.5 | 168.8 | -63.3 | 178.5 | 0 | 0 | 0 | 109.9 | K342 T346 | K342-L344 PolarHBondContact O-N 3.48Å; L344-T346 PolarHBondContact O-N 2.95Å |
| 345 | P | 90 | Very high | 81 | Confident | 83 Ų | 83 | 120.5 Ų | 120.5 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 136.1 | 174.1 | 27.4 | -34.7 | 0 | 0 | 0 | 110.1 | Y347 | P345-Y347 HydrophobicContact CB-CE1 4.31Å; P345-Y347 HydrophobicContact CB-CE2 3.78Å; P345-Y347 HydrophobicContact CG-CE2 3.7Å |
| 346 | T | 92.1 | Very high | 82.8 | Confident | 116 Ų | 116 | 119.3 Ų | 119.3 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 116.1 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | L344 | L344-T346 PolarHBondContact O-N 2.95Š|
| 347 | Y | 94.5 | Very high | 84.7 | Confident | 77 Ų | 77 | 120.4 Ų | 120.4 | 30% | 0.302 | 68% | 0.678 | S | S | . | * | | | trans | -115.1 | 142.1 | 176.5 | -60.5 | -57.4 | 0 | 0 | 0 | 110.9 | P345 N349 G350 V351 M352 P353 | P345-Y347 HydrophobicContact CB-CE1 4.31Å; P345-Y347 HydrophobicContact CB-CE2 3.78Å; P345-Y347 HydrophobicContact CG-CE2 3.7Å; Y347-N349 PolarHBondContact O-N 3.43Å; Y347-G350 PolarHBondContact O-N 3.39Å; Y347-V351 WeakPolarHBondContact CB-O 3.35Å; Y347-M352 HydrophobicContact CE1-CG 4.32Å; Y347-M352 HydrophobicContact CE2-CB 4.33Å; Y347-M352 HydrophobicContact CE2-CG 4.3Å; Y347-P353 HydrophobicContact CE1-CG 4.44Å |
| 348 | Q | 93 | Very high | 86.2 | Confident | 170 Ų | 170 | 113.7 Ų | 113.7 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -63.5 | 127.1 | 169.8 | 176.9 | 167.2 | -7.7 | 0 | 0 | 109.1 | G350 V351 | Q348-G350 PolarHBondContact O-N 3.14Å; Q348-V351 PolarHBondContact O-N 3.43Å |
| 349 | N | 94 | Very high | 87.8 | Confident | 150 Ų | 150 | 112 Ų | 112 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | 52.9 | 18.6 | -175.7 | -61.5 | 73.9 | 0 | 0 | 0 | 114.7 | Y347 V351 | Y347-N349 PolarHBondContact O-N 3.43Å; N349-V351 VanDerWaalsContact C-N 3.26Å; N349-V351 HydrophobicContact CB-CG2 4.41Å; N349-V351 PolarHBondContact O-N 3.18Å |
| 350 | G | 94.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 112.1 Ų | 112.1 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | 75.3 | 3.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y347 Q348 | Y347-G350 PolarHBondContact O-N 3.39Å; Q348-G350 PolarHBondContact O-N 3.14Å |
| 351 | V | 95.8 | Very high | 91.2 | Very high | 106 Ų | 106 | 111.5 Ų | 111.5 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 118.6 | -175.1 | -176.9 | 0 | 0 | 0 | 0 | 111 | Y347 Q348 N349 | Y347-V351 WeakPolarHBondContact CB-O 3.35Å; Q348-V351 PolarHBondContact O-N 3.43Å; N349-V351 VanDerWaalsContact C-N 3.26Å; N349-V351 HydrophobicContact CB-CG2 4.41Å; N349-V351 PolarHBondContact O-N 3.18Å |
| 352 | M | 96.7 | Very high | 92.4 | Very high | 132 Ų | 132 | 109.9 Ų | 109.9 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 136.2 | 176.1 | -170.3 | -177.8 | 71.8 | 0 | 0 | 110.8 | Y347 | Y347-M352 HydrophobicContact CE1-CG 4.32Å; Y347-M352 HydrophobicContact CE2-CB 4.33Å; Y347-M352 HydrophobicContact CE2-CG 4.3Å |
| 353 | P | 96.4 | Very high | 93.3 | Very high | 59 Ų | 59 | 109.5 Ų | 109.5 | 38% | 0.383 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 156.5 | 172.1 | 30.4 | -35.8 | 0 | 0 | 0 | 111.3 | Y347 T355 | Y347-P353 HydrophobicContact CE1-CG 4.44Å; P353-T355 PolarHBondContact O-N 2.88Å |
| 354 | P | 96.9 | Very high | 93.8 | Very high | 136 Ų | 136 | 112 Ų | 112 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -60.5 | -28.8 | 178 | -24.6 | 34.6 | 0 | 0 | 0 | 114 | | |
| 355 | T | 95.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | | | trans | -143.3 | 151.4 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | P353 | P353-T355 PolarHBondContact O-N 2.88Š|
| 356 | Q | 95.4 | Very high | 93.6 | Very high | 131 Ų | 131 | 107.7 Ų | 107.7 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | | | trans | -121.2 | 127.5 | 168.3 | 178.7 | 177.5 | -25.3 | 0 | 0 | 108.3 | | |
| 357 | S | 94.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 106.5 Ų | 106.5 | 67% | 0.671 | 60% | 0.604 | S | S | * | * | | | trans | -79.4 | 140.5 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 112 | A359 | S357-A359 WeakPolarHBondContact OG-CB 3.24Å; S357-A359 PolarHBondContact OG-N 2.87Å |
| 358 | F | 95.6 | Very high | 91.2 | Very high | 110 Ų | 110 | 112.5 Ų | 112.5 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | | | trans | -110.3 | 5.7 | 168.9 | -68.2 | -93.2 | 0 | 0 | 0 | 112.2 | D361 Y364 | F358-D361 WeakPolarHBondContact O-CB 3.31Å; F358-D361 PolarHBondContact O-N 3.02Å; F358-Y364 HydrophobicContact CB-CD2 3.84Å; F358-Y364 HydrophobicContact CB-CG 3.81Å; F358-Y364 HydrophobicContact CD1-CD2 4.23Å; F358-Y364 HydrophobicContact CD1-CE2 4.25Å; F358-Y364 HydrophobicContact CG-CD2 4.22Å; F358-Y364 HydrophobicContact CG-CG 4.16Å |
| 359 | A | 93.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 108.1 Ų | 108.1 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | 142 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S357 V365 | S357-A359 WeakPolarHBondContact OG-CB 3.24Å; S357-A359 PolarHBondContact OG-N 2.87Å; A359-V365 HydrophobicContact CB-CG2 3.67Å |
| 360 | P | 93.4 | Very high | 87.7 | Confident | 123 Ų | 123 | 110.6 Ų | 110.6 | 80% | 0.799 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -97.5 | 23.5 | 9.2 | 39.3 | -36.9 | 0 | 0 | 0 | 115.1 | P362 | P360-P362 WeakPolarHBondContact O-CD 3.32Å; P360-P362 VanDerWaalsContact O-N 3.15Å |
| 361 | D | 93.4 | Very high | 85.8 | Confident | 55 Ų | 55 | 114.9 Ų | 114.9 | 29% | 0.294 | 62% | 0.621 | S | S | . | * | | | trans | -61.2 | 116.9 | -176.6 | -175.6 | -16.5 | 0 | 0 | 0 | 111.3 | F358 K363 Y364 V365 | F358-D361 WeakPolarHBondContact O-CB 3.31Å; F358-D361 PolarHBondContact O-N 3.02Å; D361-K363 PolarHBondContact O-N 3.38Å; D361-K363 VanDerWaalsContact O-N 3.09Å; D361-K363 VanDerWaalsContact OD1-CB 3.31Å; D361-K363 WeakPolarHBondContact OD1-CB 3.32Å; D361-K363 VanDerWaalsContact OD1-CG 3.32Å; D361-K363 WeakPolarHBondContact OD1-CG 3.29Å; D361-K363 PolarHBondContact OD1-N 2.93Å; D361-Y364 HydrophobicContact CB-CD2 4.01Å; D361-Y364 PolarHBondContact O-N 3.14Å; D361-V365 PolarHBondContact O-N 3.06Å |
| 362 | P | 89 | Confident | 83.8 | Confident | 95 Ų | 95 | 116 Ų | 116 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -8 | -176.4 | 29.6 | -37.2 | 0 | 0 | 0 | 114 | P360 Y364 | P360-P362 WeakPolarHBondContact O-CD 3.32Å; P360-P362 VanDerWaalsContact O-N 3.15Å; P362-Y364 VanDerWaalsContact C-N 3.3Å |
| 363 | K | 92.8 | Very high | 81.8 | Confident | 171 Ų | 171 | 119 Ų | 119 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -29.6 | 168.5 | -64.4 | 170.5 | -174 | 165.7 | 0 | 112.6 | D361 | D361-K363 PolarHBondContact O-N 3.38Å; D361-K363 VanDerWaalsContact O-N 3.09Å; D361-K363 VanDerWaalsContact OD1-CB 3.31Å; D361-K363 WeakPolarHBondContact OD1-CB 3.32Å; D361-K363 VanDerWaalsContact OD1-CG 3.32Å; D361-K363 WeakPolarHBondContact OD1-CG 3.29Å; D361-K363 PolarHBondContact OD1-N 2.93Å |
| 364 | Y | 92.7 | Very high | 79.6 | Confident | 153 Ų | 153 | 121.6 Ų | 121.6 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | -24.3 | -175.6 | -57.3 | -78.3 | 0 | 0 | 0 | 112.2 | F358 D361 P362 | F358-Y364 HydrophobicContact CB-CD2 3.84Å; F358-Y364 HydrophobicContact CB-CG 3.81Å; F358-Y364 HydrophobicContact CD1-CD2 4.23Å; F358-Y364 HydrophobicContact CD1-CE2 4.25Å; F358-Y364 HydrophobicContact CG-CD2 4.22Å; F358-Y364 HydrophobicContact CG-CG 4.16Å; D361-Y364 HydrophobicContact CB-CD2 4.01Å; D361-Y364 PolarHBondContact O-N 3.14Å; P362-Y364 VanDerWaalsContact C-N 3.3Å |
| 365 | V | 91.3 | Very high | 77.7 | Confident | 47 Ų | 47 | 120.1 Ų | 120.1 | 29% | 0.285 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -97.3 | 116.3 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | A359 D361 C367 | A359-V365 HydrophobicContact CB-CG2 3.67Å; D361-V365 PolarHBondContact O-N 3.06Å; V365-C367 PolarHBondContact O-N 3.09Å; V365-C367 VanDerWaalsContact O-N 3.15Å |
| 366 | S | 83.8 | Confident | 75.8 | Confident | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | | | trans | -68 | 110.4 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 111 | R368 C369 | S366-R368 PolarHBondContact O-N 2.89Å; S366-C369 PolarHBondContact O-N 3.1Å; S366-C369 PolarHBondContact O-SG 3.45Å |
| 367 | C | 69.5 | Low | 74.1 | Confident | 91 Ų | 91 | 114.6 Ų | 114.6 | 62% | 0.615 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -60.4 | -7.4 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 115 | V365 C369 | V365-C367 PolarHBondContact O-N 3.09Å; V365-C367 VanDerWaalsContact O-N 3.15Å; C367-C369 VanDerWaalsContact C-N 3.25Å; C367-C369 PolarHBondContact O-N 3.48Å |
| 368 | R | 68.4 | Low | 72.8 | Confident | 203 Ų | 203 | 114.4 Ų | 114.4 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -79.1 | -1.3 | 177.1 | -60.2 | -160.9 | -167.8 | -95.4 | 8.1 | 114 | S366 F370 H371 | S366-R368 PolarHBondContact O-N 2.89Å; R368-F370 PolarHBondContact O-N 2.9Å; R368-H371 PolarHBondContact O-N 3.29Å; R368-H371 VanDerWaalsContact O-N 3.12Å |
| 369 | C | 58.5 | Low | 72 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -58.2 | -29.7 | 179.9 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | S366 C367 H371 | S366-C369 PolarHBondContact O-N 3.1Å; S366-C369 PolarHBondContact O-SG 3.45Å; C367-C369 VanDerWaalsContact C-N 3.25Å; C367-C369 PolarHBondContact O-N 3.48Å; C369-H371 PolarHBondContact O-N 2.96Å |
| 370 | F | 54.2 | Low | 71.5 | Confident | 201 Ų | 201 | 113.1 Ų | 113.1 | 88% | 0.882 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -67.6 | -10.6 | 176.5 | -67.3 | -72.8 | 0 | 0 | 0 | 114.8 | R368 | R368-F370 PolarHBondContact O-N 2.9Š|
| 371 | H | 55.5 | Low | 71.2 | Confident | 152 Ų | 152 | 111.6 Ų | 111.6 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -92.6 | -3.9 | -175.9 | -172.8 | 55.1 | 0 | 0 | 0 | 114.6 | R368 C369 | R368-H371 PolarHBondContact O-N 3.29Å; R368-H371 VanDerWaalsContact O-N 3.12Å; C369-H371 PolarHBondContact O-N 2.96Å |
| 372 | R | 53.2 | Low | 71 | Confident | 129 Ų | 129 | 111.7 Ų | 111.7 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | | | trans | -124.4 | 81.3 | -170.8 | -66.2 | -164.9 | 172.3 | -78 | 6.7 | 114.7 | N374 E376 G377 | R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact NH1-O 3.37Å; R372-E376 PolarHBondContact NH1-O 3.06Å; R372-E376 PolarHBondContact NH2-O 3.25Å; R372-G377 VanDerWaalsContact CZ-CA 3.5Å |
| 373 | Q | 55.1 | Low | 70.9 | Confident | 195 Ų | 195 | 110.5 Ų | 110.5 | 91% | 0.911 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -80.8 | -15.4 | 146.6 | -74 | -110.2 | -78.8 | 0 | 0 | 112 | | |
| 374 | N | 50.2 | Low | 70.6 | Confident | 113 Ų | 113 | 103.9 Ų | 103.9 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -106.9 | 131.5 | -178.7 | -59.3 | -14.3 | 0 | 0 | 0 | 110.6 | R372 E376 | R372-N374 VanDerWaalsContact C-N 3.31Å; R372-N374 PolarHBondContact NH1-O 3.37Å; N374-E376 PolarHBondContact O-N 3.48Å |
| 375 | S | 56.8 | Low | 70 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 73% | 0.734 | 56% | 0.561 | S | S | * | * | | | trans | -66.1 | 3.2 | -171.6 | 46.9 | 0 | 0 | 0 | 0 | 116 | G377 | S375-G377 PolarHBondContact O-N 3.4Š|
| 376 | E | 55.9 | Low | 69.3 | Low | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | 45.3 | -169.3 | -53.1 | -165.7 | 148.7 | 0 | 0 | 114.4 | R372 N374 Q399 | R372-E376 PolarHBondContact NH1-O 3.06Å; R372-E376 PolarHBondContact NH2-O 3.25Å; N374-E376 PolarHBondContact O-N 3.48Å; E376-Q399 PolarHBondContact O-NE2 3.17Å; E376-Q399 PolarHBondContact O-OE1 2.99Å |
| 377 | G | 59 | Low | 68.6 | Low | 29 Ų | 29 | 113.4 Ų | 113.4 | 30% | 0.299 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -169.2 | -2.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | R372 S375 Q399 | R372-G377 VanDerWaalsContact CZ-CA 3.5Å; S375-G377 PolarHBondContact O-N 3.4Å; G377-Q399 VanDerWaalsContact CA-OE1 3.28Å |
| 378 | S | 68.1 | Low | 68.4 | Low | 91 Ų | 91 | 111.9 Ų | 111.9 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 117.9 | 169 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 379 | T | 78.4 | Confident | 68.2 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -60 | 137.8 | 173.7 | -39.6 | 0 | 0 | 0 | 0 | 110.2 | T381 I396 L397 | T379-T381 PolarHBondContact O-N 3.15Å; T379-I396 HydrophobicContact CG2-CG2 3.34Å; T379-L397 WeakPolarHBondContact CG2-O 3.12Å |
| 380 | C | 83.1 | Confident | 69.1 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 43% | 0.426 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 118.6 | -178.2 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | L397 | C380-L397 HydrophobicContact CB-CB 4.15Å; C380-L397 PolarHBondContact O-N 3.03Å |
| 381 | T | 87.1 | Confident | 70.5 | Confident | 91 Ų | 91 | 102.1 Ų | 102.1 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.2 | 179.4 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | T379 Y395 | T379-T381 PolarHBondContact O-N 3.15Å; T381-Y395 CarbonylContact C-O 3.52Å; T381-Y395 WeakPolarHBondContact CA-O 3.34Å |
| 382 | V | 87.8 | Confident | 72.1 | Confident | 57 Ų | 57 | 100.2 Ų | 100.2 | 35% | 0.345 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.2 | -176.4 | -176 | 0 | 0 | 0 | 0 | 110.2 | Y394 Y395 L397 | V382-Y394 CarbonylContact O-C 3.57Å; V382-Y394 WeakPolarHBondContact O-CA 3.4Å; V382-Y395 PolarHBondContact N-O 3.02Å; V382-Y395 PolarHBondContact O-N 3.2Å; V382-L397 HydrophobicContact CG2-CD1 3.79Å; V382-L397 HydrophobicContact CG2-CG 4.32Å |
| 383 | P | 87.4 | Confident | 73.8 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 149.8 | 178.6 | 29 | -35.6 | 0 | 0 | 0 | 112.4 | I385 Y394 | P383-I385 HydrophobicContact CG-CD1 4.44Å; P383-I385 HydrophobicContact CG-CG1 4.31Å; P383-I385 PolarHBondContact O-N 3.22Å; P383-Y394 HydrophobicContact CB-CD1 4.13Å; P383-Y394 HydrophobicContact CB-CE1 4.04Å |
| 384 | I | 86.8 | Confident | 75.6 | Confident | 33 Ų | 33 | 96.6 Ų | 96.6 | 17% | 0.169 | 55% | 0.547 | C | S | . | . | | | trans | -88 | 94.3 | 175.3 | -53.9 | -177.1 | 0 | 0 | 0 | 109.5 | L386 H393 Y395 | I384-L386 HydrophobicContact CG2-CD1 3.76Å; I384-L386 HydrophobicContact CG2-CG 3.98Å; I384-L386 PolarHBondContact O-N 3.18Å; I384-L386 VanDerWaalsContact O-N 3.17Å; I384-H393 HydrophobicContact CD1-CB 3.73Å; I384-H393 WeakPolarHBondContact CG1-O 3.36Å; I384-Y395 HydrophobicContact CB-CE2 4.46Å; I384-Y395 HydrophobicContact CD1-CE2 4.21Å; I384-Y395 HydrophobicContact CG1-CD2 3.87Å; I384-Y395 HydrophobicContact CG1-CE2 3.72Å; I384-Y395 HydrophobicContact CG2-CE2 4.39Å |
| 385 | I | 79.4 | Confident | 77.4 | Confident | 145 Ų | 145 | 97.7 Ų | 97.7 | 74% | 0.744 | 54% | 0.543 | S | S | * | . | | | trans | -87.5 | 79.6 | 177.7 | -48.6 | 175.7 | 0 | 0 | 0 | 109.1 | P383 | P383-I385 HydrophobicContact CG-CD1 4.44Å; P383-I385 HydrophobicContact CG-CG1 4.31Å; P383-I385 PolarHBondContact O-N 3.22Å |
| 386 | L | 78.4 | Confident | 79 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | | | trans | -100.6 | 162.7 | 165.2 | -75.3 | 166.5 | 0 | 0 | 0 | 109.2 | I384 G388 | I384-L386 HydrophobicContact CG2-CD1 3.76Å; I384-L386 HydrophobicContact CG2-CG 3.98Å; I384-L386 PolarHBondContact O-N 3.18Å; I384-L386 VanDerWaalsContact O-N 3.17Å; L386-G388 CarbonylContact O-C 3.58Å; L386-G388 PolarHBondContact O-N 3.27Å |
| 387 | K | 68.3 | Low | 80.5 | Confident | 227 Ų | 227 | 97.4 Ų | 97.4 | 99% | 0.987 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -75.5 | 60.1 | -176.9 | -163.5 | 179.5 | -179.6 | -178.5 | 0 | 111.6 | | |
| 388 | G | 65.1 | Low | 81.6 | Confident | 59 Ų | 59 | 101.5 Ų | 101.5 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 148 | 87.1 | -161 | 0 | 0 | 0 | 0 | 0 | 107.8 | L386 | L386-G388 CarbonylContact O-C 3.58Å; L386-G388 PolarHBondContact O-N 3.27Å |
| 389 | D | 63.5 | Low | 81.7 | Confident | 111 Ų | 111 | 101.8 Ų | 101.8 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | | | trans | -71.2 | 128.4 | -159 | -52 | -65.5 | 0 | 0 | 0 | 113.9 | N391 | D389-N391 PolarHBondContact O-N 3.29Š|
| 390 | S | 78.4 | Confident | 80.8 | Confident | 38 Ų | 38 | 108.8 Ų | 108.8 | 27% | 0.266 | 57% | 0.565 | S | S | . | * | | | trans | -87.3 | 83.7 | 172 | -169.4 | 0 | 0 | 0 | 0 | 110.6 | T392 H393 | S390-T392 PolarHBondContact O-N 3.06Å; S390-H393 PolarHBondContact O-N 2.86Å; S390-H393 WeakPolarHBondContact OG-CB 3.21Å; S390-H393 PolarHBondContact OG-ND1 3.41Å |
| 391 | N | 83.7 | Confident | 79.5 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 70% | 0.695 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -3.6 | 180 | -67.6 | -16.4 | 0 | 0 | 0 | 114.3 | D389 | D389-N391 PolarHBondContact O-N 3.29Š|
| 392 | T | 88.7 | Confident | 77.9 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -17.3 | -175.5 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | S390 | S390-T392 PolarHBondContact O-N 3.06Š|
| 393 | H | 88.9 | Confident | 76.1 | Confident | 117 Ų | 117 | 114.7 Ų | 114.7 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | | | trans | -121.8 | 140.1 | -174.6 | -61.1 | 75.9 | 0 | 0 | 0 | 111.9 | I384 S390 | I384-H393 HydrophobicContact CD1-CB 3.73Å; I384-H393 WeakPolarHBondContact CG1-O 3.36Å; S390-H393 PolarHBondContact O-N 2.86Å; S390-H393 WeakPolarHBondContact OG-CB 3.21Å; S390-H393 PolarHBondContact OG-ND1 3.41Å |
| 394 | Y | 91.9 | Very high | 74.2 | Confident | 130 Ų | 130 | 115.1 Ų | 115.1 | 51% | 0.51 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.9 | -179.7 | -62.8 | -98.8 | 0 | 0 | 0 | 108.8 | V382 P383 I396 | V382-Y394 CarbonylContact O-C 3.57Å; V382-Y394 WeakPolarHBondContact O-CA 3.4Å; P383-Y394 HydrophobicContact CB-CD1 4.13Å; P383-Y394 HydrophobicContact CB-CE1 4.04Å; Y394-I396 PolarHBondContact O-N 3.4Å |
| 395 | Y | 88.6 | Confident | 72.2 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.9 | 167.5 | -70.1 | -66.8 | 0 | 0 | 0 | 109.5 | T381 V382 I384 | T381-Y395 CarbonylContact C-O 3.52Å; T381-Y395 WeakPolarHBondContact CA-O 3.34Å; V382-Y395 PolarHBondContact N-O 3.02Å; V382-Y395 PolarHBondContact O-N 3.2Å; I384-Y395 HydrophobicContact CB-CE2 4.46Å; I384-Y395 HydrophobicContact CD1-CE2 4.21Å; I384-Y395 HydrophobicContact CG1-CD2 3.87Å; I384-Y395 HydrophobicContact CG1-CE2 3.72Å; I384-Y395 HydrophobicContact CG2-CE2 4.39Å |
| 396 | I | 91.7 | Very high | 70.4 | Confident | 125 Ų | 125 | 118.8 Ų | 118.8 | 64% | 0.641 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 102.9 | 175.4 | -58.2 | -177.6 | 0 | 0 | 0 | 107.1 | T379 Y394 | T379-I396 HydrophobicContact CG2-CG2 3.34Å; Y394-I396 PolarHBondContact O-N 3.4Å |
| 397 | L | 86.9 | Confident | 68.8 | Low | 83 Ų | 83 | 118.4 Ų | 118.4 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.5 | -178.5 | -60.4 | -179.7 | 0 | 0 | 0 | 110.4 | T379 C380 V382 Q399 | T379-L397 WeakPolarHBondContact CG2-O 3.12Å; C380-L397 HydrophobicContact CB-CB 4.15Å; C380-L397 PolarHBondContact O-N 3.03Å; V382-L397 HydrophobicContact CG2-CD1 3.79Å; V382-L397 HydrophobicContact CG2-CG 4.32Å; L397-Q399 PolarHBondContact O-N 2.93Å |
| 398 | P | 81.3 | Confident | 67.6 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | | | trans | -53.1 | 136.7 | 168.9 | -24.9 | 34.1 | 0 | 0 | 0 | 110.4 | R400 | P398-R400 PolarHBondContact O-N 3.36Š|
| 399 | Q | 69.7 | Low | 66.5 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 45% | 0.453 | 63% | 0.63 | S | S | . | * | | | trans | -59 | 113.8 | 172.9 | -179.7 | -173.3 | -19.8 | 0 | 0 | 108.5 | E376 G377 L397 S401 | E376-Q399 PolarHBondContact O-NE2 3.17Å; E376-Q399 PolarHBondContact O-OE1 2.99Å; G377-Q399 VanDerWaalsContact CA-OE1 3.28Å; L397-Q399 PolarHBondContact O-N 2.93Å; Q399-S401 PolarHBondContact O-N 3.05Å |
| 400 | R | 59.5 | Low | 65.6 | Low | 230 Ų | 230 | 115.8 Ų | 115.8 | 87% | 0.868 | 63% | 0.633 | S | S | * | * | | | trans | -64 | 123.6 | 169 | -72.6 | -170 | 174.3 | 156.3 | 1.8 | 107.7 | P398 | P398-R400 PolarHBondContact O-N 3.36Š|
| 401 | S | 55.8 | Low | 64.1 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | | | trans | -62.1 | 137.3 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 108.4 | Q399 F403 A404 | Q399-S401 PolarHBondContact O-N 3.05Å; S401-F403 PolarHBondContact O-N 2.99Å; S401-A404 PolarHBondContact O-N 3.02Å |
| 402 | S | 54.9 | Low | 62.5 | Low | 86 Ų | 86 | 121 Ų | 121 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -2.2 | 175.5 | 33.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 403 | F | 49.4 | Very low | 60.5 | Low | 179 Ų | 179 | 124.9 Ų | 124.9 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -6.1 | 178.4 | -71.1 | -82.5 | 0 | 0 | 0 | 114.8 | S401 | S401-F403 PolarHBondContact O-N 2.99Š|
| 404 | A | 47.7 | Very low | 58.3 | Low | 78 Ų | 78 | 130.5 Ų | 130.5 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -90.3 | -14.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S401 | S401-A404 PolarHBondContact O-N 3.02Š|
| 405 | D | 43.6 | Very low | 56.4 | Low | 158 Ų | 158 | 133.3 Ų | 133.3 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | | | trans | -110.8 | 17.5 | -173.6 | -105.8 | -20.8 | 0 | 0 | 0 | 113.7 | S407 | D405-S407 PolarHBondContact O-N 3.33Å; D405-S407 VanDerWaalsContact O-N 3.12Å |
| 406 | S | 43.1 | Very low | 54.7 | Low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | | | trans | -73.6 | 102.2 | 164.9 | 62.1 | 0 | 0 | 0 | 0 | 108.9 | C408 | S406-C408 PolarHBondContact O-N 3.19Å; S406-C408 VanDerWaalsContact O-N 3.11Å |
| 407 | S | 43.8 | Very low | 52.7 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | trans | -52 | 120.2 | 170.9 | 57.4 | 0 | 0 | 0 | 0 | 109.4 | D405 D409 | D405-S407 PolarHBondContact O-N 3.33Å; D405-S407 VanDerWaalsContact O-N 3.12Å; S407-D409 PolarHBondContact O-N 3.03Å |
| 408 | C | 43.6 | Very low | 50.6 | Low | 111 Ų | 111 | 136.9 Ų | 136.9 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | | | trans | -65.8 | 97 | 177.4 | 41.9 | 0 | 0 | 0 | 0 | 109.9 | S406 C410 | S406-C408 PolarHBondContact O-N 3.19Å; S406-C408 VanDerWaalsContact O-N 3.11Å; C408-C410 PolarHBondContact O-N 3.48Å; C408-C410 PolarHBondContact O-SG 3.39Å |
| 409 | D | 41.7 | Very low | 49.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | trans | -76.7 | 63.2 | 178.4 | -162.3 | 1.8 | 0 | 0 | 0 | 110.8 | S407 H411 | S407-D409 PolarHBondContact O-N 3.03Å; D409-H411 PolarHBondContact O-N 3.11Å |
| 410 | C | 45.6 | Very low | 48.4 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | trans | -86.7 | 29.4 | -174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | C408 | C408-C410 PolarHBondContact O-N 3.48Å; C408-C410 PolarHBondContact O-SG 3.39Å |
| 411 | H | 46.3 | Very low | 47.8 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | | | trans | -131.9 | 38.2 | -175.9 | -84.8 | -52.8 | 0 | 0 | 0 | 116 | D409 | D409-H411 PolarHBondContact O-N 3.11Š|
| 412 | T | 48.9 | Very low | 47.3 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | | | trans | -132.3 | 126.1 | 160.5 | 64.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 413 | K | 47.7 | Very low | 46.9 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 66.8 | 101.4 | 159 | -48.3 | -176.1 | -166.8 | -178 | 0 | 118.9 | | |
| 414 | R | 43.3 | Very low | 46.7 | Very low | 236 Ų | 236 | 144.4 Ų | 144.4 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | | | | -156.1 | 87.7 | 112.8 | -111.1 | 178.9 | -72.5 | 175.4 | -1.7 | 111.2 | V416 | R414-V416 HydrophobicContact CG-CG2 4.22Š|
| 415 | K | 50.3 | Low | 46.6 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | -94.6 | 105 | 154.4 | -163 | 179.6 | -176.6 | -170.3 | 0 | 104.9 | | |
| 416 | V | 53.8 | Low | 46.9 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | | | trans | -109 | 123.1 | 169 | 174.1 | 0 | 0 | 0 | 0 | 104.8 | R414 | R414-V416 HydrophobicContact CG-CG2 4.22Š|
| 417 | D | 49.5 | Very low | 47.2 | Very low | 125 Ų | 125 | 152.2 Ų | 152.2 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | | | trans | -69.1 | 139.1 | -174.8 | -59.2 | -63 | 0 | 0 | 0 | 110.6 | | |
| 418 | L | 43.6 | Very low | 47.4 | Very low | 179 Ų | 179 | 155.8 Ų | 155.8 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | | | trans | -82.2 | 129.1 | 163.6 | -122.8 | 74.1 | 0 | 0 | 0 | 107.5 | | |
| 419 | V | 54.9 | Low | 47.8 | Very low | 212 Ų | 212 | 159.9 Ų | 159.9 | 100% | 1.285 | 82% | 0.816 | S | S | * | * | | | trans | -105.6 | 0 | 163.7 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | | |